REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2cfy_1_A DATA FIRST_RESID 10 DATA SEQUENCE SYDYDLIIIG GGSGGLAAAK EAAQYGKKVM VLDFVTPTPL GTRWGLGGTC DATA SEQUENCE VNVGCIPKKL MHQAALLGQA LQDSRNYGWK VEETVKHDWD RMIEAVQNHI DATA SEQUENCE GSLNWGYRVA LREKKVVYEN AYGQFIGPHR IKATNNKGKE KIYSAERFLI DATA SEQUENCE ATGERPRYLG IPGDKEYCIS SDDLFSLPYC PGKTLVVGAS YVALECAGFL DATA SEQUENCE AGIGLDVTVM VRSILLRGFD QDMANKIGEH MEEHGIKFIR QFVPIKVEQI DATA SEQUENCE EAGTPGRLRV VAQSTNSEEI IEGEYNTVML AIGRDACTRK IGLETVGVKI DATA SEQUENCE NEKTGKIPVT DEEQTNVPYI YAIGDILEDK VELTPVAIQA GRLLAQRLYA DATA SEQUENCE GSTVKCDYEN VPTTVFTPLE YGACGLSEEK AVEKFGEENI EVYHSYFWPL DATA SEQUENCE EWTIPSRDNN KCYAKIICNT KDNERVVGFH VLGPNAGEVT QGFAAALKCG DATA SEQUENCE LTKKQLDSTI GIHPVCAEVF TTLSVTKRSG ASIL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.369 174.600 -0.384 0.000 1.055 10 S CA 0.000 58.017 58.200 -0.305 0.000 1.107 10 S CB 0.000 62.984 63.200 -0.360 0.000 0.593 11 Y N 2.956 123.231 120.300 -0.042 0.000 2.496 11 Y HA 0.458 5.008 4.550 -0.000 0.000 0.331 11 Y C 1.115 176.989 175.900 -0.044 0.000 1.140 11 Y CA -0.898 57.193 58.100 -0.015 0.000 1.166 11 Y CB 0.477 38.943 38.460 0.010 0.000 1.249 11 Y HN 0.158 nan 8.280 nan 0.000 0.479 12 D N 0.471 120.955 120.400 0.140 0.000 2.104 12 D HA -0.182 4.458 4.640 -0.000 0.000 0.194 12 D C -0.396 175.663 176.300 -0.400 0.000 0.994 12 D CA 2.018 55.952 54.000 -0.110 0.000 0.830 12 D CB -0.033 40.785 40.800 0.029 0.000 0.959 12 D HN 0.429 nan 8.370 nan 0.000 0.452 13 Y N -0.151 120.199 120.300 0.083 0.000 2.570 13 Y HA 0.187 4.737 4.550 -0.000 0.000 0.345 13 Y C 1.115 177.001 175.900 -0.023 0.000 1.014 13 Y CA -1.015 57.082 58.100 -0.005 0.000 1.063 13 Y CB 1.608 40.020 38.460 -0.080 0.000 1.272 13 Y HN -0.320 nan 8.280 nan 0.000 0.477 14 D N 0.576 121.044 120.400 0.114 0.000 2.123 14 D HA -0.027 4.613 4.640 -0.000 0.000 0.200 14 D C -0.354 175.952 176.300 0.011 0.000 0.976 14 D CA 1.556 55.582 54.000 0.044 0.000 0.831 14 D CB 0.450 41.233 40.800 -0.029 0.000 0.974 14 D HN 0.192 nan 8.370 nan 0.000 0.469 15 L N 0.386 121.596 121.223 -0.020 0.000 2.464 15 L HA 0.423 4.763 4.340 -0.000 0.000 0.266 15 L C -1.553 175.191 176.870 -0.210 0.000 0.965 15 L CA -0.468 54.317 54.840 -0.092 0.000 0.833 15 L CB 2.323 44.392 42.059 0.016 0.000 1.296 15 L HN -0.225 nan 8.230 nan 0.000 0.405 16 I N 5.819 126.158 120.570 -0.385 0.000 2.389 16 I HA 0.431 4.601 4.170 -0.000 0.000 0.288 16 I C -0.570 175.464 176.117 -0.139 0.000 0.999 16 I CA -0.438 60.652 61.300 -0.350 0.000 1.129 16 I CB 1.589 39.325 38.000 -0.440 0.000 1.288 16 I HN 0.481 nan 8.210 nan 0.000 0.444 17 I N 7.196 127.707 120.570 -0.100 0.000 2.331 17 I HA 0.351 4.521 4.170 -0.000 0.000 0.292 17 I C -0.114 175.990 176.117 -0.021 0.000 0.998 17 I CA -0.544 60.745 61.300 -0.018 0.000 1.267 17 I CB 1.232 39.217 38.000 -0.025 0.000 1.386 17 I HN 0.363 nan 8.210 nan 0.000 0.476 18 I N 6.030 126.606 120.570 0.010 0.000 2.291 18 I HA 0.500 4.670 4.170 -0.000 0.000 0.290 18 I C 0.547 176.651 176.117 -0.022 0.000 1.050 18 I CA -0.226 61.048 61.300 -0.043 0.000 1.245 18 I CB 0.695 38.640 38.000 -0.093 0.000 1.405 18 I HN 0.841 nan 8.210 nan 0.000 0.478 19 G N 3.666 112.457 108.800 -0.016 0.000 3.226 19 G HA2 0.023 3.983 3.960 -0.000 0.000 0.685 19 G HA3 0.023 3.983 3.960 -0.000 0.000 0.685 19 G C -0.110 174.792 174.900 0.003 0.000 1.207 19 G CA -0.549 44.557 45.100 0.011 0.000 0.877 19 G HN 0.954 nan 8.290 nan 0.000 0.585 20 G N 0.798 109.599 108.800 0.001 0.000 4.294 20 G HA2 0.693 4.653 3.960 -0.000 0.000 0.301 20 G HA3 0.693 4.653 3.960 -0.000 0.000 0.301 20 G C 0.803 175.628 174.900 -0.125 0.000 1.321 20 G CA 0.886 45.944 45.100 -0.071 0.000 1.190 20 G HN 1.252 nan 8.290 nan 0.000 0.600 21 G N 0.081 108.834 108.800 -0.077 0.000 2.531 21 G HA2 0.389 4.349 3.960 -0.000 0.000 0.281 21 G HA3 0.389 4.349 3.960 -0.000 0.000 0.281 21 G C 1.240 176.064 174.900 -0.127 0.000 1.382 21 G CA 0.357 45.404 45.100 -0.089 0.000 1.045 21 G HN 0.194 nan 8.290 nan 0.000 0.533 22 S N -0.186 115.463 115.700 -0.085 0.000 2.369 22 S HA -0.191 4.279 4.470 -0.000 0.000 0.225 22 S C 2.489 177.073 174.600 -0.026 0.000 1.043 22 S CA 1.890 60.058 58.200 -0.053 0.000 1.074 22 S CB -0.865 62.333 63.200 -0.004 0.000 0.962 22 S HN 0.833 nan 8.310 nan 0.000 0.433 23 G N 1.103 109.901 108.800 -0.002 0.000 2.404 23 G HA2 0.013 3.973 3.960 -0.000 0.000 0.215 23 G HA3 0.013 3.973 3.960 -0.000 0.000 0.215 23 G C 1.482 176.386 174.900 0.007 0.000 1.174 23 G CA 0.899 46.008 45.100 0.016 0.000 0.780 23 G HN 0.583 nan 8.290 nan 0.000 0.537 24 G N 0.912 109.708 108.800 -0.006 0.000 2.446 24 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 24 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 24 G C 1.815 176.696 174.900 -0.031 0.000 1.168 24 G CA 0.848 45.940 45.100 -0.012 0.000 0.771 24 G HN 0.414 nan 8.290 nan 0.000 0.551 25 L N 0.511 121.695 121.223 -0.065 0.000 2.109 25 L HA 0.022 4.362 4.340 -0.000 0.000 0.207 25 L C 3.403 180.268 176.870 -0.007 0.000 1.086 25 L CA 0.822 55.623 54.840 -0.065 0.000 0.760 25 L CB -0.441 41.526 42.059 -0.154 0.000 0.910 25 L HN 0.311 nan 8.230 nan 0.000 0.437 26 A N 0.357 123.179 122.820 0.005 0.000 1.902 26 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 26 A C 2.561 180.159 177.584 0.022 0.000 1.181 26 A CA 1.767 53.817 52.037 0.022 0.000 0.623 26 A CB -0.660 18.353 19.000 0.022 0.000 0.818 26 A HN 0.386 nan 8.150 nan 0.000 0.443 27 A N -0.126 122.707 122.820 0.022 0.000 1.902 27 A HA 0.145 4.465 4.320 -0.000 0.000 0.217 27 A C 2.528 180.132 177.584 0.035 0.000 1.181 27 A CA 2.214 54.272 52.037 0.036 0.000 0.623 27 A CB -1.081 17.939 19.000 0.034 0.000 0.818 27 A HN 1.059 nan 8.150 nan 0.000 0.443 28 A N -0.062 122.763 122.820 0.007 0.000 1.858 28 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 28 A C 2.111 179.685 177.584 -0.015 0.000 1.190 28 A CA 1.975 54.005 52.037 -0.012 0.000 0.617 28 A CB -0.518 18.463 19.000 -0.033 0.000 0.827 28 A HN 0.542 nan 8.150 nan 0.000 0.443 29 K N -0.751 119.642 120.400 -0.013 0.000 2.063 29 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 29 K C 2.145 178.719 176.600 -0.042 0.000 1.048 29 K CA 1.683 57.953 56.287 -0.028 0.000 0.928 29 K CB -0.115 32.375 32.500 -0.016 0.000 0.713 29 K HN 0.508 nan 8.250 nan 0.000 0.442 30 E N 0.750 120.947 120.200 -0.005 0.000 2.072 30 E HA -0.095 4.255 4.350 -0.000 0.000 0.191 30 E C 1.791 178.427 176.600 0.060 0.000 0.985 30 E CA 1.300 57.709 56.400 0.015 0.000 0.801 30 E CB -0.122 29.635 29.700 0.095 0.000 0.750 30 E HN 0.295 nan 8.360 nan 0.000 0.452 31 A N 0.727 123.610 122.820 0.105 0.000 1.902 31 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 31 A C 2.409 179.974 177.584 -0.031 0.000 1.181 31 A CA 1.958 54.067 52.037 0.120 0.000 0.623 31 A CB -0.964 18.076 19.000 0.066 0.000 0.818 31 A HN 0.362 nan 8.150 nan 0.000 0.443 32 A N -1.131 121.646 122.820 -0.071 0.000 2.019 32 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 32 A C 2.053 179.547 177.584 -0.149 0.000 1.164 32 A CA 1.831 53.809 52.037 -0.099 0.000 0.644 32 A CB -0.476 18.477 19.000 -0.078 0.000 0.805 32 A HN 0.563 nan 8.150 nan 0.000 0.449 33 Q N -1.402 118.250 119.800 -0.247 0.000 2.297 33 Q HA -0.147 4.193 4.340 -0.000 0.000 0.208 33 Q C 0.341 176.017 176.000 -0.541 0.000 0.981 33 Q CA 1.519 57.066 55.803 -0.427 0.000 0.876 33 Q CB -0.347 28.018 28.738 -0.622 0.000 0.921 33 Q HN 0.843 nan 8.270 nan 0.000 0.446 34 Y N -1.735 118.540 120.300 -0.041 0.000 2.708 34 Y HA 0.339 4.889 4.550 -0.000 0.000 0.287 34 Y C 1.203 177.057 175.900 -0.076 0.000 1.145 34 Y CA -0.119 57.958 58.100 -0.038 0.000 1.249 34 Y CB 0.605 39.066 38.460 0.002 0.000 1.152 34 Y HN 0.117 nan 8.280 nan 0.000 0.532 35 G N 0.427 109.217 108.800 -0.017 0.000 2.153 35 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.252 35 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.252 35 G C 0.155 175.018 174.900 -0.061 0.000 0.994 35 G CA -0.203 44.878 45.100 -0.030 0.000 0.698 35 G HN 0.167 nan 8.290 nan 0.000 0.521 36 K N 0.234 120.560 120.400 -0.124 0.000 2.144 36 K HA 0.321 4.641 4.320 -0.000 0.000 0.270 36 K C 0.436 176.968 176.600 -0.113 0.000 1.005 36 K CA -0.610 55.558 56.287 -0.198 0.000 0.932 36 K CB 1.078 33.271 32.500 -0.512 0.000 1.021 36 K HN 0.078 nan 8.250 nan 0.000 0.462 37 K N 2.617 122.985 120.400 -0.054 0.000 2.310 37 K HA 0.183 4.503 4.320 -0.000 0.000 0.290 37 K C -0.687 175.981 176.600 0.113 0.000 1.077 37 K CA -0.202 56.117 56.287 0.053 0.000 0.922 37 K CB 0.445 32.985 32.500 0.068 0.000 1.057 37 K HN 0.252 nan 8.250 nan 0.000 0.479 38 V N 4.903 124.854 119.914 0.062 0.000 2.680 38 V HA 0.484 4.604 4.120 -0.000 0.000 0.309 38 V C -0.299 175.662 176.094 -0.222 0.000 1.052 38 V CA -1.029 61.233 62.300 -0.063 0.000 0.908 38 V CB 1.913 33.689 31.823 -0.078 0.000 1.001 38 V HN 0.774 nan 8.190 nan 0.000 0.431 39 M N 4.279 123.604 119.600 -0.459 0.000 2.395 39 M HA 0.768 5.248 4.480 -0.000 0.000 0.307 39 M C -1.921 174.186 176.300 -0.321 0.000 1.091 39 M CA -0.414 54.543 55.300 -0.571 0.000 0.919 39 M CB 2.053 33.955 32.600 -1.163 0.000 1.662 39 M HN 0.423 nan 8.290 nan 0.000 0.440 40 V N 6.060 125.869 119.914 -0.176 0.000 2.417 40 V HA 0.460 4.580 4.120 -0.000 0.000 0.291 40 V C -0.511 175.578 176.094 -0.009 0.000 1.024 40 V CA -0.646 61.616 62.300 -0.063 0.000 0.861 40 V CB 1.659 33.490 31.823 0.013 0.000 0.985 40 V HN 0.801 nan 8.190 nan 0.000 0.436 41 L N 4.474 125.675 121.223 -0.037 0.000 2.265 41 L HA 0.583 4.923 4.340 -0.000 0.000 0.289 41 L C -0.697 176.222 176.870 0.080 0.000 1.033 41 L CA -0.164 54.669 54.840 -0.011 0.000 0.814 41 L CB 1.510 43.521 42.059 -0.081 0.000 1.203 41 L HN 0.667 nan 8.230 nan 0.000 0.423 42 D N 2.819 123.346 120.400 0.211 0.000 2.780 42 D HA 0.596 5.236 4.640 -0.000 0.000 0.242 42 D C -1.594 174.886 176.300 0.301 0.000 1.135 42 D CA -0.212 53.925 54.000 0.229 0.000 0.859 42 D CB 1.995 42.930 40.800 0.225 0.000 1.530 42 D HN 0.241 nan 8.370 nan 0.000 0.493 43 F N 3.652 123.654 119.950 0.087 0.000 2.605 43 F HA 0.403 4.930 4.527 0.000 0.000 0.320 43 F C -1.752 174.082 175.800 0.056 0.000 1.159 43 F CA -0.692 57.360 58.000 0.087 0.000 0.999 43 F CB 1.515 40.605 39.000 0.150 0.000 1.258 43 F HN 0.157 nan 8.300 nan 0.000 0.464 44 V N 4.861 124.377 119.914 -0.664 0.000 2.288 44 V HA 0.231 4.351 4.120 -0.000 0.000 0.266 44 V C 0.141 175.840 176.094 -0.657 0.000 1.048 44 V CA -0.431 61.522 62.300 -0.579 0.000 0.842 44 V CB 0.878 32.157 31.823 -0.907 0.000 1.064 44 V HN 0.822 nan 8.190 nan 0.000 0.472 45 T N 4.769 119.226 114.554 -0.161 0.000 2.902 45 T HA 0.281 4.631 4.350 -0.000 0.000 0.301 45 T C -2.123 172.472 174.700 -0.175 0.000 1.012 45 T CA -0.985 61.113 62.100 -0.004 0.000 1.151 45 T CB 0.662 69.611 68.868 0.136 0.000 0.946 45 T HN 0.404 nan 8.240 nan 0.000 0.542 46 P HA 0.245 nan 4.420 nan 0.000 0.272 46 P C 0.268 177.535 177.300 -0.055 0.000 1.240 46 P CA -0.495 62.507 63.100 -0.163 0.000 0.791 46 P CB 0.227 31.868 31.700 -0.098 0.000 0.978 47 T N 3.095 117.649 114.554 -0.000 0.000 2.903 47 T HA 0.045 4.395 4.350 -0.000 0.000 0.314 47 T C -1.296 173.431 174.700 0.044 0.000 1.078 47 T CA -0.495 61.659 62.100 0.090 0.000 1.114 47 T CB -0.306 68.664 68.868 0.170 0.000 0.987 47 T HN 0.346 nan 8.240 nan 0.000 0.548 48 P HA -0.100 nan 4.420 nan 0.000 0.218 48 P C 1.187 178.492 177.300 0.009 0.000 1.154 48 P CA 1.237 64.318 63.100 -0.033 0.000 0.872 48 P CB 0.033 31.667 31.700 -0.110 0.000 0.790 49 L N -3.176 118.082 121.223 0.059 0.000 2.599 49 L HA 0.194 4.534 4.340 -0.000 0.000 0.230 49 L C 1.521 178.435 176.870 0.072 0.000 1.141 49 L CA 0.761 55.647 54.840 0.076 0.000 0.877 49 L CB -0.823 41.306 42.059 0.116 0.000 1.009 49 L HN 0.195 nan 8.230 nan 0.000 0.447 50 G N -0.464 108.368 108.800 0.054 0.000 2.179 50 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 50 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 50 G C 0.348 175.269 174.900 0.036 0.000 0.990 50 G CA 0.026 45.148 45.100 0.035 0.000 0.646 50 G HN 0.246 nan 8.290 nan 0.000 0.517 51 T N 1.851 116.453 114.554 0.080 0.000 2.870 51 T HA 0.547 4.896 4.350 -0.000 0.000 0.300 51 T C 0.697 175.397 174.700 -0.001 0.000 0.989 51 T CA 0.372 62.548 62.100 0.126 0.000 1.139 51 T CB 0.760 69.781 68.868 0.255 0.000 0.920 51 T HN 0.548 nan 8.240 nan 0.000 0.537 52 R N 1.570 122.048 120.500 -0.036 0.000 2.912 52 R HA 0.792 5.132 4.340 -0.000 0.000 0.262 52 R C -1.204 175.077 176.300 -0.032 0.000 1.057 52 R CA -1.072 54.827 56.100 -0.334 0.000 0.981 52 R CB 1.836 31.977 30.300 -0.264 0.000 1.201 52 R HN 0.770 nan 8.270 nan 0.000 0.484 53 W N -1.435 119.857 121.300 -0.013 0.000 2.923 53 W HA 0.700 5.360 4.660 -0.000 0.000 0.373 53 W C -0.639 175.878 176.519 -0.004 0.000 1.205 53 W CA -1.238 56.111 57.345 0.007 0.000 1.180 53 W CB -0.112 29.364 29.460 0.026 0.000 1.477 53 W HN 0.690 nan 8.180 nan 0.000 0.581 54 G N 0.394 109.395 108.800 0.335 0.000 2.510 54 G HA2 0.460 4.420 3.960 -0.000 0.000 0.280 54 G HA3 0.460 4.420 3.960 -0.000 0.000 0.280 54 G C -1.007 174.020 174.900 0.211 0.000 1.386 54 G CA -0.941 44.284 45.100 0.209 0.000 1.047 54 G HN 0.778 nan 8.290 nan 0.000 0.527 55 L N -0.350 120.928 121.223 0.093 0.000 2.482 55 L HA 0.455 4.795 4.340 -0.000 0.000 0.273 55 L C 1.471 178.287 176.870 -0.091 0.000 1.228 55 L CA 2.114 56.923 54.840 -0.052 0.000 0.827 55 L CB 1.006 42.915 42.059 -0.250 0.000 1.099 55 L HN 1.300 nan 8.230 nan 0.000 0.494 56 G N 0.911 109.548 108.800 -0.272 0.000 2.284 56 G HA2 0.216 4.176 3.960 -0.000 0.000 0.201 56 G HA3 0.216 4.176 3.960 -0.000 0.000 0.201 56 G C 0.881 175.635 174.900 -0.245 0.000 0.998 56 G CA 0.122 44.927 45.100 -0.491 0.000 0.651 56 G HN 1.914 nan 8.290 nan 0.000 0.489 57 G N -1.115 107.657 108.800 -0.046 0.000 2.632 57 G HA2 0.052 4.012 3.960 -0.000 0.000 0.224 57 G HA3 0.052 4.012 3.960 -0.000 0.000 0.224 57 G C 0.814 175.719 174.900 0.009 0.000 1.341 57 G CA 0.838 45.962 45.100 0.040 0.000 0.880 57 G HN 1.178 nan 8.290 nan 0.000 0.566 58 T N -0.334 114.231 114.554 0.018 0.000 2.737 58 T HA -0.156 4.194 4.350 -0.000 0.000 0.265 58 T C 2.530 177.170 174.700 -0.100 0.000 1.038 58 T CA 2.775 64.849 62.100 -0.043 0.000 1.144 58 T CB -0.691 68.201 68.868 0.041 0.000 0.866 58 T HN 1.216 nan 8.240 nan 0.000 0.434 59 C N 1.332 120.604 119.300 -0.047 0.000 2.393 59 C HA -0.095 4.365 4.460 -0.000 0.000 0.276 59 C C 2.719 177.650 174.990 -0.097 0.000 1.215 59 C CA 0.876 59.866 59.018 -0.048 0.000 1.743 59 C CB -1.273 26.462 27.740 -0.009 0.000 2.044 59 C HN 0.364 nan 8.230 nan 0.000 0.464 60 V N 1.836 121.699 119.914 -0.085 0.000 2.295 60 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 60 V C 2.416 178.418 176.094 -0.154 0.000 1.049 60 V CA 2.520 64.778 62.300 -0.070 0.000 1.024 60 V CB -0.707 31.117 31.823 0.002 0.000 0.648 60 V HN 0.614 nan 8.190 nan 0.000 0.447 61 N N -1.085 117.464 118.700 -0.252 0.000 2.368 61 N HA 0.037 4.777 4.740 -0.000 0.000 0.176 61 N C 0.982 176.199 175.510 -0.488 0.000 1.021 61 N CA 1.060 53.870 53.050 -0.400 0.000 0.888 61 N CB 1.348 39.386 38.487 -0.749 0.000 0.995 61 N HN 0.360 nan 8.380 nan 0.000 0.437 62 V N -0.142 119.485 119.914 -0.478 0.000 3.590 62 V HA 0.361 4.481 4.120 -0.000 0.000 0.389 62 V C 0.184 176.202 176.094 -0.128 0.000 1.545 62 V CA 0.058 62.154 62.300 -0.340 0.000 1.448 62 V CB 0.590 31.943 31.823 -0.783 0.000 1.105 62 V HN 0.300 nan 8.190 nan 0.000 0.537 63 G N -0.895 107.756 108.800 -0.248 0.000 3.433 63 G HA2 0.181 4.141 3.960 -0.000 0.000 0.173 63 G HA3 0.181 4.141 3.960 -0.000 0.000 0.173 63 G C 1.161 175.952 174.900 -0.183 0.000 1.196 63 G CA 0.772 45.812 45.100 -0.100 0.000 1.062 63 G HN 0.183 nan 8.290 nan 0.000 0.699 64 C N 0.910 120.169 119.300 -0.067 0.000 2.376 64 C HA -0.065 4.395 4.460 -0.000 0.000 0.275 64 C C 2.736 177.620 174.990 -0.177 0.000 1.200 64 C CA 0.566 59.546 59.018 -0.063 0.000 1.756 64 C CB -1.256 26.479 27.740 -0.009 0.000 2.050 64 C HN 0.407 nan 8.230 nan 0.000 0.460 65 I N 2.269 122.728 120.570 -0.184 0.000 2.090 65 I HA -0.087 4.083 4.170 -0.000 0.000 0.236 65 I C 0.121 176.065 176.117 -0.289 0.000 1.064 65 I CA 1.619 62.810 61.300 -0.181 0.000 1.324 65 I CB -2.667 35.279 38.000 -0.090 0.000 1.044 65 I HN 0.208 nan 8.210 nan 0.000 0.399 66 P HA -0.187 nan 4.420 nan 0.000 0.218 66 P C 1.628 178.527 177.300 -0.668 0.000 1.149 66 P CA 1.510 64.261 63.100 -0.583 0.000 0.817 66 P CB -0.154 31.042 31.700 -0.840 0.000 0.785 67 K N 1.125 121.100 120.400 -0.710 0.000 2.026 67 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 67 K C 2.116 178.595 176.600 -0.201 0.000 1.048 67 K CA 1.704 57.832 56.287 -0.265 0.000 0.929 67 K CB -0.390 32.128 32.500 0.031 0.000 0.713 67 K HN -0.122 nan 8.250 nan 0.000 0.439 68 K N 1.151 121.385 120.400 -0.277 0.000 2.097 68 K HA -0.011 4.309 4.320 -0.000 0.000 0.205 68 K C 2.256 178.712 176.600 -0.239 0.000 1.050 68 K CA 0.983 57.071 56.287 -0.331 0.000 0.938 68 K CB -0.265 31.946 32.500 -0.481 0.000 0.718 68 K HN 0.177 nan 8.250 nan 0.000 0.442 69 L N 0.041 121.101 121.223 -0.272 0.000 2.046 69 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 69 L C 2.444 179.144 176.870 -0.283 0.000 1.077 69 L CA 1.490 56.177 54.840 -0.256 0.000 0.747 69 L CB -0.366 41.543 42.059 -0.251 0.000 0.896 69 L HN 0.303 nan 8.230 nan 0.000 0.432 70 M N -1.608 117.745 119.600 -0.412 0.000 2.254 70 M HA -0.184 4.296 4.480 -0.000 0.000 0.265 70 M C 2.281 178.316 176.300 -0.442 0.000 1.066 70 M CA 1.318 56.259 55.300 -0.600 0.000 1.123 70 M CB -0.801 31.055 32.600 -1.239 0.000 1.388 70 M HN 0.265 nan 8.290 nan 0.000 0.425 71 H N 0.826 119.682 119.070 -0.356 0.000 2.387 71 H HA -0.207 4.349 4.556 0.000 0.000 0.299 71 H C 2.077 177.381 175.328 -0.040 0.000 1.099 71 H CA 2.249 58.282 56.048 -0.024 0.000 1.315 71 H CB -0.071 29.727 29.762 0.061 0.000 1.380 71 H HN 0.288 nan 8.280 nan 0.000 0.513 72 Q N 0.443 120.118 119.800 -0.208 0.000 2.084 72 Q HA -0.042 4.298 4.340 -0.000 0.000 0.202 72 Q C 2.421 178.314 176.000 -0.179 0.000 0.978 72 Q CA 1.833 57.502 55.803 -0.225 0.000 0.844 72 Q CB -0.750 27.886 28.738 -0.170 0.000 0.898 72 Q HN 0.555 nan 8.270 nan 0.000 0.426 73 A N 0.488 123.210 122.820 -0.163 0.000 1.892 73 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 73 A C 2.321 179.835 177.584 -0.116 0.000 1.188 73 A CA 2.243 54.207 52.037 -0.121 0.000 0.631 73 A CB -1.342 17.585 19.000 -0.121 0.000 0.822 73 A HN 0.557 nan 8.150 nan 0.000 0.447 74 A N -0.358 122.403 122.820 -0.098 0.000 1.877 74 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 74 A C 2.187 179.730 177.584 -0.067 0.000 1.186 74 A CA 1.517 53.530 52.037 -0.039 0.000 0.620 74 A CB -0.681 18.375 19.000 0.094 0.000 0.822 74 A HN 0.482 nan 8.150 nan 0.000 0.443 75 L N -0.700 120.431 121.223 -0.153 0.000 2.042 75 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 75 L C 2.551 179.379 176.870 -0.069 0.000 1.076 75 L CA 1.195 55.959 54.840 -0.126 0.000 0.749 75 L CB -0.543 41.393 42.059 -0.205 0.000 0.893 75 L HN 0.381 nan 8.230 nan 0.000 0.432 76 L N -0.697 120.478 121.223 -0.081 0.000 2.141 76 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 76 L C 2.666 179.514 176.870 -0.036 0.000 1.094 76 L CA 1.051 55.856 54.840 -0.059 0.000 0.763 76 L CB -1.034 40.986 42.059 -0.066 0.000 0.908 76 L HN 0.313 nan 8.230 nan 0.000 0.437 77 G N -0.428 108.354 108.800 -0.031 0.000 2.476 77 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.218 77 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.218 77 G C 1.512 176.411 174.900 -0.001 0.000 1.164 77 G CA 1.009 46.102 45.100 -0.010 0.000 0.768 77 G HN 0.316 nan 8.290 nan 0.000 0.560 78 Q N 0.578 120.375 119.800 -0.004 0.000 2.172 78 Q HA 0.229 4.569 4.340 -0.000 0.000 0.200 78 Q C 2.635 178.643 176.000 0.012 0.000 0.964 78 Q CA 1.678 57.483 55.803 0.003 0.000 0.855 78 Q CB -0.551 28.183 28.738 -0.007 0.000 0.918 78 Q HN 0.372 nan 8.270 nan 0.000 0.444 79 A N 0.419 123.241 122.820 0.003 0.000 1.908 79 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 79 A C 2.078 179.661 177.584 -0.001 0.000 1.181 79 A CA 1.529 53.565 52.037 -0.001 0.000 0.627 79 A CB -0.874 18.103 19.000 -0.039 0.000 0.818 79 A HN 0.471 nan 8.150 nan 0.000 0.445 80 L N -1.124 120.093 121.223 -0.010 0.000 2.042 80 L HA -0.294 4.046 4.340 -0.000 0.000 0.210 80 L C 2.949 179.844 176.870 0.042 0.000 1.076 80 L CA 1.893 56.733 54.840 0.000 0.000 0.749 80 L CB -0.611 41.450 42.059 0.004 0.000 0.893 80 L HN 0.508 nan 8.230 nan 0.000 0.432 81 Q N -0.279 119.549 119.800 0.045 0.000 2.046 81 Q HA -0.212 4.128 4.340 -0.000 0.000 0.200 81 Q C 1.916 177.973 176.000 0.097 0.000 0.975 81 Q CA 1.708 57.547 55.803 0.060 0.000 0.836 81 Q CB -0.031 28.731 28.738 0.040 0.000 0.896 81 Q HN 0.441 nan 8.270 nan 0.000 0.428 82 D N -0.052 120.415 120.400 0.112 0.000 2.133 82 D HA -0.171 4.469 4.640 -0.000 0.000 0.195 82 D C 2.051 178.543 176.300 0.321 0.000 0.997 82 D CA 1.678 55.800 54.000 0.204 0.000 0.840 82 D CB -0.437 40.492 40.800 0.215 0.000 0.947 82 D HN 0.264 nan 8.370 nan 0.000 0.452 83 S N 0.374 116.224 115.700 0.250 0.000 2.400 83 S HA -0.193 4.277 4.470 -0.000 0.000 0.232 83 S C 1.937 176.795 174.600 0.431 0.000 1.025 83 S CA 0.750 59.163 58.200 0.355 0.000 0.993 83 S CB -0.257 63.025 63.200 0.135 0.000 0.808 83 S HN 0.176 nan 8.310 nan 0.000 0.478 84 R N 1.672 122.331 120.500 0.266 0.000 2.096 84 R HA -0.073 4.267 4.340 -0.000 0.000 0.240 84 R C 2.053 178.445 176.300 0.153 0.000 1.139 84 R CA 2.101 58.319 56.100 0.196 0.000 0.952 84 R CB -0.586 29.788 30.300 0.123 0.000 0.854 84 R HN 0.603 nan 8.270 nan 0.000 0.436 85 N N -0.909 117.861 118.700 0.117 0.000 2.396 85 N HA -0.126 4.614 4.740 -0.000 0.000 0.180 85 N C 0.801 176.266 175.510 -0.075 0.000 1.028 85 N CA 0.762 53.807 53.050 -0.009 0.000 0.893 85 N CB 0.008 38.444 38.487 -0.084 0.000 0.967 85 N HN 0.243 nan 8.380 nan 0.000 0.440 86 Y N -0.405 119.953 120.300 0.097 0.000 2.529 86 Y HA 0.197 4.747 4.550 0.000 0.000 0.290 86 Y C 1.720 177.596 175.900 -0.041 0.000 1.177 86 Y CA 0.445 58.591 58.100 0.076 0.000 1.305 86 Y CB 0.234 38.806 38.460 0.186 0.000 1.047 86 Y HN 0.135 nan 8.280 nan 0.000 0.522 87 G N -2.138 106.705 108.800 0.071 0.000 2.192 87 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.193 87 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.193 87 G C -0.311 174.482 174.900 -0.178 0.000 0.999 87 G CA -0.694 44.344 45.100 -0.103 0.000 0.659 87 G HN 0.227 nan 8.290 nan 0.000 0.503 88 W N 2.334 123.680 121.300 0.077 0.000 2.266 88 W HA 0.568 5.228 4.660 0.000 0.000 0.317 88 W C 0.812 177.356 176.519 0.042 0.000 1.310 88 W CA -0.559 56.818 57.345 0.054 0.000 1.207 88 W CB 0.758 30.250 29.460 0.053 0.000 1.199 88 W HN -0.134 nan 8.180 nan 0.000 0.544 89 K N 4.052 124.604 120.400 0.253 0.000 2.180 89 K HA 0.271 4.591 4.320 -0.000 0.000 0.250 89 K C -0.615 176.074 176.600 0.150 0.000 1.135 89 K CA -0.298 56.079 56.287 0.150 0.000 1.037 89 K CB 0.122 32.677 32.500 0.093 0.000 1.624 89 K HN 0.219 nan 8.250 nan 0.000 0.382 90 V N 1.587 121.587 119.914 0.143 0.000 2.547 90 V HA 0.177 4.297 4.120 -0.000 0.000 0.299 90 V C 0.675 176.814 176.094 0.074 0.000 1.040 90 V CA -0.726 61.636 62.300 0.105 0.000 0.913 90 V CB 1.375 33.259 31.823 0.101 0.000 0.992 90 V HN 0.728 nan 8.190 nan 0.000 0.449 91 E N 1.469 121.703 120.200 0.057 0.000 2.502 91 E HA 0.034 4.384 4.350 -0.000 0.000 0.261 91 E C 1.309 177.935 176.600 0.044 0.000 0.974 91 E CA 0.730 57.157 56.400 0.045 0.000 0.936 91 E CB 0.319 30.041 29.700 0.037 0.000 0.926 91 E HN 0.834 nan 8.360 nan 0.000 0.459 92 E N 1.398 121.621 120.200 0.039 0.000 2.097 92 E HA -0.112 4.238 4.350 -0.000 0.000 0.196 92 E C 0.594 177.216 176.600 0.035 0.000 1.000 92 E CA 1.868 58.290 56.400 0.037 0.000 0.804 92 E CB -0.100 29.618 29.700 0.030 0.000 0.740 92 E HN 0.774 nan 8.360 nan 0.000 0.454 93 T N 0.344 114.918 114.554 0.034 0.000 2.841 93 T HA 0.571 4.921 4.350 -0.000 0.000 0.285 93 T C -0.864 173.859 174.700 0.039 0.000 0.991 93 T CA -0.544 61.577 62.100 0.035 0.000 0.966 93 T CB 1.779 70.666 68.868 0.032 0.000 0.962 93 T HN 0.084 nan 8.240 nan 0.000 0.438 94 V N 3.290 123.230 119.914 0.044 0.000 2.394 94 V HA 0.421 4.541 4.120 -0.000 0.000 0.282 94 V C 0.524 176.657 176.094 0.066 0.000 1.031 94 V CA -0.829 61.499 62.300 0.048 0.000 0.881 94 V CB 1.466 33.316 31.823 0.044 0.000 0.982 94 V HN 0.699 nan 8.190 nan 0.000 0.451 95 K N 2.564 123.005 120.400 0.067 0.000 2.098 95 K HA 0.380 4.700 4.320 -0.000 0.000 0.257 95 K C -0.336 176.342 176.600 0.129 0.000 0.999 95 K CA -0.646 55.697 56.287 0.093 0.000 0.924 95 K CB 1.267 33.808 32.500 0.069 0.000 1.028 95 K HN 0.855 nan 8.250 nan 0.000 0.466 96 H N 0.832 119.937 119.070 0.059 0.000 2.524 96 H HA 0.293 4.849 4.556 -0.000 0.000 0.353 96 H C -1.380 174.006 175.328 0.096 0.000 1.136 96 H CA -0.468 55.622 56.048 0.069 0.000 1.193 96 H CB 1.821 31.635 29.762 0.087 0.000 1.558 96 H HN 0.669 nan 8.280 nan 0.000 0.515 97 D N 5.132 125.169 120.400 -0.605 0.000 2.414 97 D HA -0.042 4.598 4.640 -0.000 0.000 0.232 97 D C 0.902 176.982 176.300 -0.367 0.000 1.070 97 D CA -0.505 53.307 54.000 -0.312 0.000 0.839 97 D CB 0.598 41.292 40.800 -0.176 0.000 1.079 97 D HN 0.651 nan 8.370 nan 0.000 0.521 98 W N 4.632 125.836 121.300 -0.160 0.000 2.333 98 W HA -0.198 4.462 4.660 -0.000 0.000 0.316 98 W C 0.739 177.249 176.519 -0.015 0.000 1.215 98 W CA 1.249 58.602 57.345 0.012 0.000 1.278 98 W CB 0.111 29.628 29.460 0.094 0.000 1.154 98 W HN 0.462 nan 8.180 nan 0.000 0.486 99 D N -0.158 120.341 120.400 0.165 0.000 2.149 99 D HA -0.203 4.437 4.640 -0.000 0.000 0.198 99 D C 2.237 178.493 176.300 -0.074 0.000 0.990 99 D CA 1.345 55.387 54.000 0.071 0.000 0.839 99 D CB -0.593 40.288 40.800 0.136 0.000 0.948 99 D HN 0.216 nan 8.370 nan 0.000 0.460 100 R N 0.075 120.517 120.500 -0.096 0.000 2.081 100 R HA -0.063 4.277 4.340 -0.000 0.000 0.235 100 R C 2.300 178.504 176.300 -0.160 0.000 1.131 100 R CA 0.839 56.870 56.100 -0.115 0.000 0.960 100 R CB -0.290 29.939 30.300 -0.119 0.000 0.856 100 R HN 0.207 nan 8.270 nan 0.000 0.436 101 M N 0.340 119.801 119.600 -0.231 0.000 2.086 101 M HA -0.186 4.294 4.480 -0.000 0.000 0.261 101 M C 1.717 177.846 176.300 -0.285 0.000 1.067 101 M CA 1.549 56.707 55.300 -0.236 0.000 1.116 101 M CB 0.017 32.485 32.600 -0.220 0.000 1.348 101 M HN 0.069 nan 8.290 nan 0.000 0.407 102 I N 0.493 120.825 120.570 -0.396 0.000 2.226 102 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 102 I C 2.586 178.615 176.117 -0.146 0.000 1.100 102 I CA 1.647 62.760 61.300 -0.312 0.000 1.374 102 I CB -1.923 35.881 38.000 -0.327 0.000 1.057 102 I HN 0.426 nan 8.210 nan 0.000 0.413 103 E N 1.164 121.298 120.200 -0.111 0.000 2.070 103 E HA -0.237 4.113 4.350 -0.000 0.000 0.197 103 E C 2.385 178.951 176.600 -0.058 0.000 1.004 103 E CA 1.503 57.867 56.400 -0.059 0.000 0.805 103 E CB -0.482 29.191 29.700 -0.045 0.000 0.744 103 E HN 0.587 nan 8.360 nan 0.000 0.451 104 A N 0.012 122.784 122.820 -0.080 0.000 1.898 104 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 104 A C 2.628 180.180 177.584 -0.054 0.000 1.181 104 A CA 1.758 53.754 52.037 -0.068 0.000 0.620 104 A CB -0.798 18.149 19.000 -0.089 0.000 0.819 104 A HN 0.426 nan 8.150 nan 0.000 0.442 105 V N -0.051 119.812 119.914 -0.086 0.000 2.261 105 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 105 V C 2.727 178.811 176.094 -0.018 0.000 1.047 105 V CA 2.012 64.269 62.300 -0.071 0.000 1.015 105 V CB -0.806 30.939 31.823 -0.129 0.000 0.642 105 V HN 0.519 nan 8.190 nan 0.000 0.446 106 Q N -0.089 119.696 119.800 -0.025 0.000 2.135 106 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 106 Q C 2.106 178.114 176.000 0.013 0.000 0.981 106 Q CA 1.924 57.729 55.803 0.003 0.000 0.856 106 Q CB -0.762 27.983 28.738 0.011 0.000 0.902 106 Q HN 0.738 nan 8.270 nan 0.000 0.425 107 N N -0.209 118.498 118.700 0.010 0.000 2.084 107 N HA -0.177 4.563 4.740 -0.000 0.000 0.190 107 N C 1.818 177.352 175.510 0.040 0.000 1.030 107 N CA 1.163 54.222 53.050 0.015 0.000 0.849 107 N CB -0.093 38.398 38.487 0.007 0.000 1.012 107 N HN 0.356 nan 8.380 nan 0.000 0.423 108 H N 0.123 119.165 119.070 -0.046 0.000 2.321 108 H HA -0.064 4.492 4.556 0.000 0.000 0.300 108 H C 2.049 177.361 175.328 -0.025 0.000 1.087 108 H CA 1.545 57.566 56.048 -0.044 0.000 1.319 108 H CB -0.051 29.670 29.762 -0.069 0.000 1.379 108 H HN 0.256 nan 8.280 nan 0.000 0.501 109 I N 0.293 120.829 120.570 -0.057 0.000 2.208 109 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 109 I C 2.930 179.019 176.117 -0.047 0.000 1.097 109 I CA 1.163 62.414 61.300 -0.082 0.000 1.363 109 I CB -0.610 37.369 38.000 -0.034 0.000 1.051 109 I HN 0.319 nan 8.210 nan 0.000 0.413 110 G N 0.618 109.413 108.800 -0.008 0.000 2.469 110 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.219 110 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.219 110 G C 1.790 176.714 174.900 0.041 0.000 1.150 110 G CA 1.288 46.406 45.100 0.031 0.000 0.763 110 G HN 0.529 nan 8.290 nan 0.000 0.561 111 S N 0.249 115.928 115.700 -0.035 0.000 2.406 111 S HA 0.090 4.560 4.470 -0.000 0.000 0.228 111 S C 2.333 176.912 174.600 -0.035 0.000 1.020 111 S CA 0.913 59.105 58.200 -0.014 0.000 0.965 111 S CB -0.276 62.886 63.200 -0.064 0.000 0.798 111 S HN 0.313 nan 8.310 nan 0.000 0.488 112 L N 1.644 122.779 121.223 -0.146 0.000 2.072 112 L HA -0.042 4.298 4.340 -0.000 0.000 0.205 112 L C 2.548 179.466 176.870 0.080 0.000 1.079 112 L CA 1.492 56.260 54.840 -0.121 0.000 0.752 112 L CB -0.992 40.995 42.059 -0.120 0.000 0.906 112 L HN 0.381 nan 8.230 nan 0.000 0.436 113 N N -0.591 118.192 118.700 0.139 0.000 2.061 113 N HA -0.289 4.451 4.740 -0.000 0.000 0.193 113 N C 1.757 177.387 175.510 0.199 0.000 1.030 113 N CA 1.704 54.871 53.050 0.196 0.000 0.856 113 N CB -0.231 38.363 38.487 0.178 0.000 1.023 113 N HN 0.445 nan 8.380 nan 0.000 0.424 114 W N 2.007 123.307 121.300 0.000 0.000 2.381 114 W HA -0.073 4.587 4.660 0.000 0.000 0.301 114 W C 2.179 178.670 176.519 -0.046 0.000 1.205 114 W CA 1.397 58.733 57.345 -0.014 0.000 1.285 114 W CB -0.522 28.923 29.460 -0.025 0.000 1.133 114 W HN 0.081 nan 8.180 nan 0.000 0.521 115 G N 0.109 108.874 108.800 -0.059 0.000 2.513 115 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.219 115 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.219 115 G C 1.166 175.861 174.900 -0.342 0.000 1.160 115 G CA 1.474 46.426 45.100 -0.246 0.000 0.767 115 G HN 0.320 nan 8.290 nan 0.000 0.571 116 Y N 0.175 120.359 120.300 -0.192 0.000 2.181 116 Y HA -0.016 4.534 4.550 -0.000 0.000 0.288 116 Y C 2.985 178.702 175.900 -0.304 0.000 1.146 116 Y CA 1.490 59.458 58.100 -0.219 0.000 1.164 116 Y CB -0.421 37.919 38.460 -0.199 0.000 0.982 116 Y HN 0.094 nan 8.280 nan 0.000 0.515 117 R N -0.059 120.308 120.500 -0.221 0.000 2.091 117 R HA -0.149 4.191 4.340 -0.000 0.000 0.238 117 R C 2.067 178.123 176.300 -0.406 0.000 1.136 117 R CA 1.627 57.519 56.100 -0.346 0.000 0.959 117 R CB -0.572 29.495 30.300 -0.387 0.000 0.856 117 R HN 0.178 nan 8.270 nan 0.000 0.437 118 V N 0.589 120.160 119.914 -0.571 0.000 2.307 118 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 118 V C 2.386 178.333 176.094 -0.245 0.000 1.045 118 V CA 1.880 63.914 62.300 -0.444 0.000 1.024 118 V CB -0.837 30.702 31.823 -0.473 0.000 0.651 118 V HN 0.553 nan 8.190 nan 0.000 0.449 119 A N 0.004 122.693 122.820 -0.218 0.000 1.892 119 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 119 A C 2.229 179.751 177.584 -0.105 0.000 1.188 119 A CA 2.190 54.140 52.037 -0.144 0.000 0.631 119 A CB -0.669 18.252 19.000 -0.132 0.000 0.822 119 A HN 0.507 nan 8.150 nan 0.000 0.447 120 L N -1.232 119.931 121.223 -0.100 0.000 2.046 120 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 120 L C 3.365 180.198 176.870 -0.063 0.000 1.077 120 L CA 1.509 56.306 54.840 -0.072 0.000 0.747 120 L CB -0.864 41.154 42.059 -0.069 0.000 0.896 120 L HN 0.582 nan 8.230 nan 0.000 0.432 121 R N 0.609 121.059 120.500 -0.083 0.000 2.083 121 R HA -0.187 4.153 4.340 -0.000 0.000 0.237 121 R C 2.285 178.551 176.300 -0.057 0.000 1.137 121 R CA 2.034 58.096 56.100 -0.063 0.000 0.951 121 R CB -1.929 28.320 30.300 -0.084 0.000 0.851 121 R HN 0.538 nan 8.270 nan 0.000 0.434 122 E N 1.408 121.563 120.200 -0.075 0.000 2.153 122 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 122 E C 1.960 178.526 176.600 -0.055 0.000 0.988 122 E CA 1.507 57.870 56.400 -0.062 0.000 0.811 122 E CB -0.370 29.287 29.700 -0.072 0.000 0.746 122 E HN 0.747 nan 8.360 nan 0.000 0.466 123 K N -0.526 119.839 120.400 -0.059 0.000 2.437 123 K HA 0.152 4.472 4.320 -0.000 0.000 0.198 123 K C -0.244 176.328 176.600 -0.046 0.000 1.024 123 K CA 0.208 56.460 56.287 -0.058 0.000 1.148 123 K CB 0.291 32.751 32.500 -0.066 0.000 0.860 123 K HN 0.255 nan 8.250 nan 0.000 0.515 124 K N 0.228 120.607 120.400 -0.034 0.000 3.096 124 K HA -0.140 4.180 4.320 -0.000 0.000 0.266 124 K C -0.821 175.773 176.600 -0.010 0.000 1.043 124 K CA 0.175 56.452 56.287 -0.017 0.000 0.758 124 K CB -1.864 30.626 32.500 -0.016 0.000 1.260 124 K HN -0.036 nan 8.250 nan 0.000 0.481 125 V N 1.397 121.301 119.914 -0.017 0.000 2.398 125 V HA 0.203 4.323 4.120 -0.000 0.000 0.286 125 V C 0.653 176.744 176.094 -0.005 0.000 1.026 125 V CA -0.934 61.354 62.300 -0.021 0.000 0.868 125 V CB 1.837 33.638 31.823 -0.037 0.000 0.982 125 V HN 0.093 nan 8.190 nan 0.000 0.443 126 V N 6.002 125.903 119.914 -0.021 0.000 2.479 126 V HA 0.090 4.210 4.120 -0.000 0.000 0.281 126 V C -0.363 175.719 176.094 -0.020 0.000 1.031 126 V CA -0.081 62.204 62.300 -0.024 0.000 1.038 126 V CB 0.343 32.133 31.823 -0.056 0.000 0.981 126 V HN 0.741 nan 8.190 nan 0.000 0.478 127 Y N 5.056 125.298 120.300 -0.097 0.000 2.331 127 Y HA 0.654 5.204 4.550 -0.000 0.000 0.338 127 Y C -0.230 175.630 175.900 -0.067 0.000 0.992 127 Y CA -1.574 56.471 58.100 -0.091 0.000 1.121 127 Y CB 1.557 39.978 38.460 -0.065 0.000 1.184 127 Y HN 0.701 nan 8.280 nan 0.000 0.469 128 E N 4.747 124.637 120.200 -0.517 0.000 2.216 128 E HA 0.217 4.567 4.350 -0.000 0.000 0.260 128 E C -1.074 175.207 176.600 -0.532 0.000 0.880 128 E CA -0.317 55.782 56.400 -0.502 0.000 0.765 128 E CB 0.556 30.103 29.700 -0.255 0.000 1.174 128 E HN 0.745 nan 8.360 nan 0.000 0.417 129 N N 3.503 121.866 118.700 -0.563 0.000 2.971 129 N HA 0.279 5.019 4.740 -0.000 0.000 0.294 129 N C -1.251 174.323 175.510 0.107 0.000 1.210 129 N CA 0.086 53.036 53.050 -0.166 0.000 1.157 129 N CB 0.016 38.451 38.487 -0.088 0.000 1.450 129 N HN 0.400 nan 8.380 nan 0.000 0.527 130 A N 2.353 125.246 122.820 0.123 0.000 2.539 130 A HA 0.272 4.592 4.320 -0.000 0.000 0.296 130 A C -1.778 175.854 177.584 0.079 0.000 1.073 130 A CA -0.633 51.456 52.037 0.086 0.000 0.700 130 A CB 0.892 19.909 19.000 0.028 0.000 1.296 130 A HN 0.567 nan 8.150 nan 0.000 0.405 131 Y N 1.402 121.538 120.300 -0.273 0.000 2.365 131 Y HA 0.489 5.039 4.550 -0.000 0.000 0.340 131 Y C 0.797 176.623 175.900 -0.123 0.000 1.016 131 Y CA 0.434 58.400 58.100 -0.224 0.000 1.196 131 Y CB 0.815 38.980 38.460 -0.492 0.000 1.167 131 Y HN 0.823 nan 8.280 nan 0.000 0.509 132 G N 4.755 113.298 108.800 -0.428 0.000 2.420 132 G HA2 0.450 4.410 3.960 -0.000 0.000 0.284 132 G HA3 0.450 4.410 3.960 -0.000 0.000 0.284 132 G C -1.505 173.177 174.900 -0.362 0.000 1.177 132 G CA -0.565 44.350 45.100 -0.307 0.000 0.841 132 G HN 0.661 nan 8.290 nan 0.000 0.527 133 Q N 0.606 120.282 119.800 -0.208 0.000 2.380 133 Q HA 0.235 4.575 4.340 -0.000 0.000 0.245 133 Q C -1.354 174.586 176.000 -0.100 0.000 0.893 133 Q CA -0.664 55.080 55.803 -0.098 0.000 0.922 133 Q CB 1.419 30.205 28.738 0.079 0.000 1.432 133 Q HN 0.457 nan 8.270 nan 0.000 0.434 134 F N 3.940 123.859 119.950 -0.052 0.000 2.572 134 F HA 0.057 4.584 4.527 -0.000 0.000 0.370 134 F C 1.519 177.300 175.800 -0.032 0.000 1.103 134 F CA 0.519 58.467 58.000 -0.086 0.000 1.286 134 F CB 0.515 39.428 39.000 -0.145 0.000 1.105 134 F HN 0.590 nan 8.300 nan 0.000 0.583 135 I N -0.434 120.249 120.570 0.188 0.000 4.139 135 I HA 0.615 4.785 4.170 -0.000 0.000 0.320 135 I C 0.766 176.948 176.117 0.108 0.000 1.290 135 I CA 0.192 61.566 61.300 0.122 0.000 1.253 135 I CB 0.328 38.382 38.000 0.090 0.000 1.122 135 I HN 0.532 nan 8.210 nan 0.000 0.421 136 G N 0.785 109.664 108.800 0.132 0.000 2.441 136 G HA2 0.385 4.345 3.960 -0.000 0.000 0.294 136 G HA3 0.385 4.345 3.960 -0.000 0.000 0.294 136 G C -3.240 171.734 174.900 0.123 0.000 1.393 136 G CA -1.007 44.152 45.100 0.098 0.000 0.796 136 G HN -0.247 nan 8.290 nan 0.000 0.494 137 P HA 0.087 nan 4.420 nan 0.000 0.257 137 P C 0.150 177.619 177.300 0.281 0.000 1.162 137 P CA 0.866 64.070 63.100 0.174 0.000 0.762 137 P CB -0.103 31.709 31.700 0.187 0.000 0.753 138 H N -0.178 119.035 119.070 0.239 0.000 3.179 138 H HA -0.200 4.356 4.556 -0.000 0.000 0.250 138 H C 0.290 175.896 175.328 0.463 0.000 1.142 138 H CA 1.024 57.271 56.048 0.330 0.000 1.165 138 H CB -0.799 29.069 29.762 0.175 0.000 1.253 138 H HN 0.542 nan 8.280 nan 0.000 0.325 139 R N -0.041 120.693 120.500 0.390 0.000 2.686 139 R HA 0.745 5.085 4.340 -0.000 0.000 0.286 139 R C -0.494 175.954 176.300 0.247 0.000 0.969 139 R CA -0.698 55.611 56.100 0.349 0.000 0.898 139 R CB 2.505 32.953 30.300 0.247 0.000 1.183 139 R HN 0.102 nan 8.270 nan 0.000 0.456 140 I N 1.812 122.529 120.570 0.244 0.000 2.722 140 I HA 0.306 4.476 4.170 -0.000 0.000 0.295 140 I C -1.337 174.865 176.117 0.141 0.000 1.161 140 I CA -0.741 60.616 61.300 0.096 0.000 1.032 140 I CB 2.044 40.063 38.000 0.032 0.000 1.244 140 I HN 0.511 nan 8.210 nan 0.000 0.421 141 K N 6.748 127.190 120.400 0.070 0.000 2.206 141 K HA 0.836 5.156 4.320 -0.000 0.000 0.264 141 K C -1.484 175.162 176.600 0.076 0.000 0.967 141 K CA -0.457 55.874 56.287 0.073 0.000 0.844 141 K CB 1.791 34.319 32.500 0.047 0.000 1.099 141 K HN 0.586 nan 8.250 nan 0.000 0.441 142 A N 3.223 126.112 122.820 0.116 0.000 2.304 142 A HA 0.426 4.746 4.320 -0.000 0.000 0.314 142 A C -0.920 176.698 177.584 0.055 0.000 1.187 142 A CA -0.709 51.392 52.037 0.107 0.000 0.810 142 A CB 1.349 20.481 19.000 0.220 0.000 1.183 142 A HN 0.716 nan 8.150 nan 0.000 0.487 143 T N 3.639 118.195 114.554 0.004 0.000 2.756 143 T HA 0.372 4.722 4.350 -0.000 0.000 0.290 143 T C 0.404 175.022 174.700 -0.136 0.000 0.985 143 T CA -0.641 61.422 62.100 -0.062 0.000 0.955 143 T CB 0.399 69.209 68.868 -0.097 0.000 0.930 143 T HN 0.879 nan 8.240 nan 0.000 0.451 144 N N 2.816 121.477 118.700 -0.065 0.000 2.364 144 N HA 0.099 4.839 4.740 -0.000 0.000 0.264 144 N C 1.126 176.625 175.510 -0.017 0.000 1.263 144 N CA -0.742 52.294 53.050 -0.024 0.000 0.959 144 N CB 0.259 38.763 38.487 0.029 0.000 1.204 144 N HN 0.468 nan 8.380 nan 0.000 0.550 145 N N -0.927 117.851 118.700 0.129 0.000 2.120 145 N HA -0.242 4.498 4.740 -0.000 0.000 0.188 145 N C 1.258 176.816 175.510 0.080 0.000 1.024 145 N CA 2.061 55.226 53.050 0.192 0.000 0.852 145 N CB -0.219 38.402 38.487 0.224 0.000 1.003 145 N HN 0.716 nan 8.380 nan 0.000 0.424 146 K N 0.603 121.034 120.400 0.051 0.000 2.555 146 K HA 0.104 4.424 4.320 -0.000 0.000 0.193 146 K C 1.353 177.957 176.600 0.006 0.000 1.032 146 K CA 1.116 57.420 56.287 0.028 0.000 1.004 146 K CB -0.917 31.598 32.500 0.026 0.000 0.804 146 K HN 0.544 nan 8.250 nan 0.000 0.496 147 G N -0.252 108.541 108.800 -0.011 0.000 2.195 147 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.224 147 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.224 147 G C 0.127 175.010 174.900 -0.030 0.000 0.990 147 G CA 0.035 45.116 45.100 -0.032 0.000 0.639 147 G HN 0.427 nan 8.290 nan 0.000 0.514 148 K N 1.611 122.001 120.400 -0.016 0.000 2.350 148 K HA 0.395 4.715 4.320 -0.000 0.000 0.279 148 K C 0.402 176.993 176.600 -0.015 0.000 1.027 148 K CA 0.099 56.379 56.287 -0.012 0.000 0.969 148 K CB 1.000 33.499 32.500 -0.002 0.000 0.954 148 K HN 0.595 nan 8.250 nan 0.000 0.474 149 E N 1.943 122.132 120.200 -0.018 0.000 2.214 149 E HA 0.346 4.696 4.350 -0.000 0.000 0.274 149 E C -0.669 175.909 176.600 -0.037 0.000 0.977 149 E CA -0.707 55.682 56.400 -0.019 0.000 0.827 149 E CB 1.870 31.558 29.700 -0.019 0.000 1.130 149 E HN 0.226 nan 8.360 nan 0.000 0.394 150 K N 1.814 122.182 120.400 -0.052 0.000 2.498 150 K HA 0.468 4.788 4.320 -0.000 0.000 0.254 150 K C -1.355 175.096 176.600 -0.249 0.000 0.933 150 K CA -0.453 55.725 56.287 -0.182 0.000 0.806 150 K CB 1.554 33.921 32.500 -0.222 0.000 1.301 150 K HN 0.399 nan 8.250 nan 0.000 0.432 151 I N 3.887 124.267 120.570 -0.315 0.000 2.377 151 I HA 0.370 4.540 4.170 -0.000 0.000 0.293 151 I C -0.972 174.954 176.117 -0.318 0.000 0.987 151 I CA -0.725 60.463 61.300 -0.187 0.000 1.185 151 I CB 0.909 38.880 38.000 -0.048 0.000 1.341 151 I HN 0.542 nan 8.210 nan 0.000 0.455 152 Y N 2.989 123.384 120.300 0.158 0.000 2.545 152 Y HA 0.502 5.052 4.550 -0.000 0.000 0.348 152 Y C 0.186 176.265 175.900 0.298 0.000 1.002 152 Y CA -0.801 57.434 58.100 0.225 0.000 1.039 152 Y CB 2.268 40.880 38.460 0.254 0.000 1.271 152 Y HN 0.535 nan 8.280 nan 0.000 0.467 153 S N 1.097 117.097 115.700 0.500 0.000 2.566 153 S HA 0.985 5.455 4.470 -0.000 0.000 0.298 153 S C -0.973 173.890 174.600 0.438 0.000 1.083 153 S CA -0.564 57.947 58.200 0.517 0.000 0.978 153 S CB 2.031 65.510 63.200 0.465 0.000 1.073 153 S HN 1.046 nan 8.310 nan 0.000 0.491 154 A N 0.803 123.816 122.820 0.323 0.000 2.572 154 A HA 0.654 4.974 4.320 -0.000 0.000 0.295 154 A C 0.405 177.744 177.584 -0.408 0.000 1.072 154 A CA -0.573 51.402 52.037 -0.104 0.000 0.691 154 A CB 1.240 19.855 19.000 -0.643 0.000 1.291 154 A HN 0.972 nan 8.150 nan 0.000 0.404 155 E N 0.172 120.047 120.200 -0.542 0.000 2.106 155 E HA -0.056 4.294 4.350 -0.000 0.000 0.192 155 E C 0.424 176.986 176.600 -0.062 0.000 0.984 155 E CA 1.000 57.013 56.400 -0.644 0.000 0.806 155 E CB 0.141 29.724 29.700 -0.194 0.000 0.750 155 E HN 0.566 nan 8.360 nan 0.000 0.458 156 R N -1.383 119.129 120.500 0.020 0.000 2.836 156 R HA 0.451 4.791 4.340 -0.000 0.000 0.269 156 R C -1.448 174.871 176.300 0.032 0.000 1.010 156 R CA -0.726 55.543 56.100 0.282 0.000 0.930 156 R CB 1.384 31.862 30.300 0.296 0.000 1.218 156 R HN -0.117 nan 8.270 nan 0.000 0.473 157 F N 0.778 120.930 119.950 0.337 0.000 2.576 157 F HA 0.481 5.007 4.527 -0.000 0.000 0.313 157 F C -0.862 175.084 175.800 0.244 0.000 1.078 157 F CA -0.955 57.203 58.000 0.263 0.000 0.921 157 F CB 1.817 41.028 39.000 0.353 0.000 1.232 157 F HN 0.127 nan 8.300 nan 0.000 0.459 158 L N 4.327 125.745 121.223 0.325 0.000 2.343 158 L HA 0.598 4.938 4.340 -0.000 0.000 0.278 158 L C -0.960 176.030 176.870 0.199 0.000 0.996 158 L CA -0.576 54.410 54.840 0.242 0.000 0.831 158 L CB 0.965 43.109 42.059 0.140 0.000 1.232 158 L HN 0.453 nan 8.230 nan 0.000 0.413 159 I N 5.537 126.222 120.570 0.192 0.000 2.379 159 I HA 0.434 4.604 4.170 -0.000 0.000 0.290 159 I C 0.546 176.722 176.117 0.097 0.000 1.063 159 I CA 0.021 61.403 61.300 0.136 0.000 1.351 159 I CB 1.109 39.191 38.000 0.136 0.000 1.410 159 I HN 0.828 nan 8.210 nan 0.000 0.505 160 A N 4.001 126.862 122.820 0.068 0.000 3.176 160 A HA 0.281 4.601 4.320 -0.000 0.000 0.265 160 A C 0.662 178.275 177.584 0.049 0.000 0.936 160 A CA -0.282 51.791 52.037 0.058 0.000 1.033 160 A CB 0.370 19.398 19.000 0.046 0.000 1.158 160 A HN 0.653 nan 8.150 nan 0.000 0.485 161 T N -0.246 114.340 114.554 0.054 0.000 3.044 161 T HA 0.424 4.774 4.350 -0.000 0.000 0.250 161 T C 1.246 175.993 174.700 0.080 0.000 1.081 161 T CA 1.619 63.750 62.100 0.052 0.000 1.040 161 T CB -0.297 68.593 68.868 0.037 0.000 0.962 161 T HN 1.904 nan 8.240 nan 0.000 0.506 162 G N 1.319 110.168 108.800 0.083 0.000 2.641 162 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.254 162 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.254 162 G C -0.679 174.285 174.900 0.107 0.000 1.315 162 G CA -0.152 45.007 45.100 0.097 0.000 0.907 162 G HN 0.534 nan 8.290 nan 0.000 0.572 163 E N -0.361 119.910 120.200 0.119 0.000 2.423 163 E HA 0.770 5.120 4.350 -0.000 0.000 0.269 163 E C -0.313 176.375 176.600 0.147 0.000 0.948 163 E CA -1.164 55.308 56.400 0.121 0.000 0.802 163 E CB 1.763 31.524 29.700 0.103 0.000 1.339 163 E HN 0.484 nan 8.360 nan 0.000 0.445 164 R N 0.439 121.028 120.500 0.148 0.000 2.808 164 R HA 0.458 4.798 4.340 -0.000 0.000 0.272 164 R C -2.757 173.633 176.300 0.150 0.000 0.995 164 R CA -2.482 53.723 56.100 0.176 0.000 0.917 164 R CB 0.939 31.360 30.300 0.202 0.000 1.217 164 R HN 0.322 nan 8.270 nan 0.000 0.471 165 P HA 0.066 nan 4.420 nan 0.000 0.266 165 P C -0.325 177.043 177.300 0.114 0.000 1.195 165 P CA 0.032 63.184 63.100 0.085 0.000 0.768 165 P CB 0.596 32.323 31.700 0.045 0.000 0.838 166 R N 2.722 123.250 120.500 0.046 0.000 2.404 166 R HA 0.342 4.682 4.340 -0.000 0.000 0.291 166 R C -0.766 175.533 176.300 -0.002 0.000 1.025 166 R CA -0.384 55.768 56.100 0.088 0.000 0.991 166 R CB 0.318 30.649 30.300 0.052 0.000 1.053 166 R HN 0.379 nan 8.270 nan 0.000 0.479 167 Y N 2.592 122.909 120.300 0.028 0.000 2.457 167 Y HA 0.301 4.851 4.550 -0.000 0.000 0.333 167 Y C 0.167 176.079 175.900 0.019 0.000 1.119 167 Y CA -0.675 57.438 58.100 0.021 0.000 1.143 167 Y CB 1.411 39.882 38.460 0.018 0.000 1.230 167 Y HN 0.362 nan 8.280 nan 0.000 0.469 168 L N 1.388 122.689 121.223 0.131 0.000 2.397 168 L HA 0.313 4.653 4.340 -0.000 0.000 0.271 168 L C 1.239 178.180 176.870 0.119 0.000 1.148 168 L CA -0.339 54.558 54.840 0.096 0.000 0.825 168 L CB 0.384 42.482 42.059 0.066 0.000 1.117 168 L HN 0.939 nan 8.230 nan 0.000 0.456 169 G N 3.659 112.509 108.800 0.083 0.000 3.397 169 G HA2 0.279 4.239 3.960 -0.000 0.000 0.248 169 G HA3 0.279 4.239 3.960 -0.000 0.000 0.248 169 G C 0.234 175.167 174.900 0.055 0.000 1.284 169 G CA -0.198 44.942 45.100 0.066 0.000 1.570 169 G HN 0.592 nan 8.290 nan 0.000 0.587 170 I N -3.347 117.263 120.570 0.067 0.000 2.707 170 I HA 0.683 4.853 4.170 -0.000 0.000 0.309 170 I C -2.611 173.537 176.117 0.051 0.000 1.001 170 I CA -3.412 57.923 61.300 0.058 0.000 1.129 170 I CB 2.205 40.245 38.000 0.066 0.000 1.308 170 I HN -0.241 nan 8.210 nan 0.000 0.466 171 P HA 0.246 nan 4.420 nan 0.000 0.276 171 P C 0.597 177.928 177.300 0.052 0.000 1.235 171 P CA 0.613 63.734 63.100 0.035 0.000 0.772 171 P CB 1.066 32.792 31.700 0.043 0.000 0.871 172 G N 3.276 112.075 108.800 -0.002 0.000 2.241 172 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.244 172 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.244 172 G C 0.906 175.807 174.900 0.003 0.000 0.998 172 G CA 0.530 45.624 45.100 -0.010 0.000 0.621 172 G HN 0.567 nan 8.290 nan 0.000 0.519 173 D N 1.232 121.671 120.400 0.064 0.000 2.087 173 D HA -0.109 4.530 4.640 -0.000 0.000 0.192 173 D C 1.981 178.410 176.300 0.215 0.000 0.993 173 D CA 1.674 55.780 54.000 0.177 0.000 0.828 173 D CB -0.579 40.377 40.800 0.261 0.000 0.968 173 D HN 0.454 nan 8.370 nan 0.000 0.448 174 K N 0.303 120.710 120.400 0.010 0.000 2.211 174 K HA -0.070 4.250 4.320 -0.000 0.000 0.203 174 K C 2.054 178.585 176.600 -0.116 0.000 1.050 174 K CA 1.164 57.347 56.287 -0.173 0.000 0.945 174 K CB 0.057 32.341 32.500 -0.361 0.000 0.732 174 K HN 0.479 nan 8.250 nan 0.000 0.451 175 E N -0.357 119.698 120.200 -0.240 0.000 2.216 175 E HA -0.094 4.256 4.350 -0.000 0.000 0.192 175 E C 1.111 177.550 176.600 -0.269 0.000 0.973 175 E CA 1.011 57.173 56.400 -0.395 0.000 0.851 175 E CB -0.135 29.115 29.700 -0.750 0.000 0.804 175 E HN 0.362 nan 8.360 nan 0.000 0.477 176 Y N 0.398 120.746 120.300 0.080 0.000 2.430 176 Y HA 0.292 4.842 4.550 0.000 0.000 0.254 176 Y C 1.160 177.113 175.900 0.089 0.000 1.088 176 Y CA -1.490 56.655 58.100 0.075 0.000 1.267 176 Y CB 0.051 38.544 38.460 0.056 0.000 1.204 176 Y HN -0.034 nan 8.280 nan 0.000 0.515 177 C N 2.020 121.457 119.300 0.228 0.000 2.362 177 C HA 0.697 5.157 4.460 -0.000 0.000 0.363 177 C C 0.619 175.702 174.990 0.155 0.000 1.220 177 C CA -1.087 58.027 59.018 0.161 0.000 2.379 177 C CB 0.398 28.206 27.740 0.114 0.000 2.351 177 C HN 0.351 nan 8.230 nan 0.000 0.582 178 I N 0.339 120.954 120.570 0.074 0.000 2.910 178 I HA 0.839 5.009 4.170 -0.000 0.000 0.310 178 I C 0.029 176.124 176.117 -0.038 0.000 1.043 178 I CA -0.102 61.232 61.300 0.056 0.000 1.053 178 I CB 1.937 39.956 38.000 0.031 0.000 1.242 178 I HN 0.691 nan 8.210 nan 0.000 0.452 179 S N 1.153 116.838 115.700 -0.026 0.000 2.806 179 S HA 0.374 4.844 4.470 -0.000 0.000 0.315 179 S C 1.027 175.579 174.600 -0.080 0.000 1.127 179 S CA 0.014 58.161 58.200 -0.089 0.000 0.918 179 S CB 1.127 64.281 63.200 -0.076 0.000 1.240 179 S HN 0.945 nan 8.310 nan 0.000 0.552 180 S N 0.381 116.030 115.700 -0.085 0.000 2.402 180 S HA -0.210 4.260 4.470 -0.000 0.000 0.233 180 S C 1.103 175.675 174.600 -0.047 0.000 1.030 180 S CA 1.768 59.898 58.200 -0.116 0.000 1.003 180 S CB -1.132 62.094 63.200 0.042 0.000 0.813 180 S HN 0.714 nan 8.310 nan 0.000 0.477 181 D N 2.019 122.456 120.400 0.062 0.000 2.123 181 D HA -0.084 4.556 4.640 -0.000 0.000 0.196 181 D C 1.597 177.994 176.300 0.162 0.000 0.992 181 D CA 1.495 55.575 54.000 0.134 0.000 0.833 181 D CB -0.394 40.609 40.800 0.339 0.000 0.954 181 D HN 0.555 nan 8.370 nan 0.000 0.455 182 D N -0.344 120.125 120.400 0.115 0.000 2.240 182 D HA -0.050 4.590 4.640 -0.000 0.000 0.206 182 D C 2.188 178.508 176.300 0.034 0.000 0.963 182 D CA -0.054 54.015 54.000 0.114 0.000 0.863 182 D CB 0.025 40.888 40.800 0.106 0.000 0.973 182 D HN 0.103 nan 8.370 nan 0.000 0.501 183 L N 0.607 121.766 121.223 -0.107 0.000 2.042 183 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 183 L C 1.609 178.455 176.870 -0.039 0.000 1.076 183 L CA 1.616 56.358 54.840 -0.164 0.000 0.749 183 L CB -0.746 41.056 42.059 -0.428 0.000 0.893 183 L HN -0.143 nan 8.230 nan 0.000 0.432 184 F N -0.920 119.107 119.950 0.129 0.000 2.802 184 F HA 0.075 4.602 4.527 -0.000 0.000 0.300 184 F C 2.149 177.966 175.800 0.028 0.000 1.168 184 F CA 0.670 58.703 58.000 0.056 0.000 1.433 184 F CB -0.793 38.194 39.000 -0.023 0.000 1.115 184 F HN 0.359 nan 8.300 nan 0.000 0.582 185 S N -1.056 114.769 115.700 0.208 0.000 2.846 185 S HA 0.246 4.716 4.470 -0.000 0.000 0.249 185 S C 0.044 174.737 174.600 0.154 0.000 1.028 185 S CA -0.434 57.861 58.200 0.159 0.000 1.043 185 S CB -0.515 62.785 63.200 0.167 0.000 0.990 185 S HN 0.033 nan 8.310 nan 0.000 0.564 186 L N 4.120 125.459 121.223 0.195 0.000 2.513 186 L HA 0.314 4.654 4.340 -0.000 0.000 0.272 186 L C -1.678 175.257 176.870 0.108 0.000 1.187 186 L CA -1.111 53.759 54.840 0.050 0.000 0.895 186 L CB 0.443 42.470 42.059 -0.053 0.000 1.147 186 L HN 0.069 nan 8.230 nan 0.000 0.483 187 P HA 0.012 nan 4.420 nan 0.000 0.253 187 P C -1.385 176.033 177.300 0.197 0.000 1.281 187 P CA 0.471 63.646 63.100 0.125 0.000 0.792 187 P CB -0.277 31.520 31.700 0.162 0.000 1.193 188 Y N -3.608 116.794 120.300 0.170 0.000 2.638 188 Y HA 0.480 5.030 4.550 -0.000 0.000 0.335 188 Y C -0.666 174.981 175.900 -0.422 0.000 1.155 188 Y CA -2.032 56.074 58.100 0.010 0.000 1.046 188 Y CB -0.025 38.417 38.460 -0.030 0.000 1.303 188 Y HN -0.242 nan 8.280 nan 0.000 0.460 189 C N 4.790 123.914 119.300 -0.293 0.000 2.632 189 C HA 0.310 4.770 4.460 -0.000 0.000 0.415 189 C C -0.787 173.965 174.990 -0.396 0.000 1.332 189 C CA -1.222 57.352 59.018 -0.739 0.000 1.874 189 C CB 0.170 27.802 27.740 -0.179 0.000 2.596 189 C HN 0.762 nan 8.230 nan 0.000 0.590 190 P HA 0.150 nan 4.420 nan 0.000 0.229 190 P C 0.975 178.214 177.300 -0.103 0.000 1.160 190 P CA 1.791 64.746 63.100 -0.242 0.000 0.777 190 P CB -0.106 31.386 31.700 -0.347 0.000 0.814 191 G N 0.878 109.606 108.800 -0.120 0.000 2.547 191 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.271 191 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.271 191 G C -0.308 174.578 174.900 -0.023 0.000 1.209 191 G CA -0.241 44.831 45.100 -0.046 0.000 0.959 191 G HN 0.451 nan 8.290 nan 0.000 0.563 192 K N 1.276 121.681 120.400 0.009 0.000 2.436 192 K HA 0.350 4.670 4.320 -0.000 0.000 0.282 192 K C -0.341 176.316 176.600 0.095 0.000 1.044 192 K CA 0.931 57.251 56.287 0.055 0.000 1.028 192 K CB -0.296 32.239 32.500 0.059 0.000 0.919 192 K HN 0.491 nan 8.250 nan 0.000 0.474 193 T N 4.504 119.084 114.554 0.044 0.000 2.863 193 T HA 0.314 4.664 4.350 -0.000 0.000 0.285 193 T C -1.170 173.388 174.700 -0.238 0.000 1.009 193 T CA -0.716 61.343 62.100 -0.067 0.000 0.989 193 T CB 1.113 69.913 68.868 -0.112 0.000 1.004 193 T HN 0.398 nan 8.240 nan 0.000 0.455 194 L N 4.656 125.574 121.223 -0.509 0.000 2.287 194 L HA 0.647 4.987 4.340 -0.000 0.000 0.287 194 L C -0.917 175.731 176.870 -0.369 0.000 1.022 194 L CA -0.469 53.963 54.840 -0.680 0.000 0.814 194 L CB 1.032 42.379 42.059 -1.187 0.000 1.217 194 L HN 0.415 nan 8.230 nan 0.000 0.420 195 V N 6.275 126.016 119.914 -0.287 0.000 2.350 195 V HA 0.379 4.499 4.120 -0.000 0.000 0.276 195 V C -0.122 175.872 176.094 -0.167 0.000 1.028 195 V CA -0.678 61.497 62.300 -0.208 0.000 0.860 195 V CB 1.473 33.182 31.823 -0.190 0.000 0.990 195 V HN 0.515 nan 8.190 nan 0.000 0.453 196 V N 4.989 124.821 119.914 -0.137 0.000 2.383 196 V HA 0.923 5.043 4.120 -0.000 0.000 0.275 196 V C 0.675 176.732 176.094 -0.062 0.000 1.036 196 V CA 0.595 62.843 62.300 -0.088 0.000 0.889 196 V CB 0.565 32.341 31.823 -0.078 0.000 0.985 196 V HN 1.252 nan 8.190 nan 0.000 0.459 197 G N 3.918 112.704 108.800 -0.023 0.000 2.357 197 G HA2 0.470 4.430 3.960 -0.000 0.000 0.643 197 G HA3 0.470 4.430 3.960 -0.000 0.000 0.643 197 G C -0.403 174.513 174.900 0.026 0.000 1.358 197 G CA -0.055 45.042 45.100 -0.004 0.000 0.986 197 G HN 1.385 nan 8.290 nan 0.000 0.620 198 A N -0.268 122.576 122.820 0.042 0.000 2.568 198 A HA 0.754 5.074 4.320 -0.000 0.000 0.287 198 A C 0.992 178.613 177.584 0.061 0.000 0.967 198 A CA 1.221 53.300 52.037 0.070 0.000 1.004 198 A CB -0.431 18.621 19.000 0.087 0.000 1.233 198 A HN 2.336 nan 8.150 nan 0.000 0.513 199 S N -0.672 115.045 115.700 0.027 0.000 2.624 199 S HA 0.320 4.790 4.470 -0.000 0.000 0.263 199 S C 1.178 175.789 174.600 0.020 0.000 1.287 199 S CA 0.213 58.422 58.200 0.016 0.000 0.990 199 S CB 0.001 63.151 63.200 -0.083 0.000 0.950 199 S HN 0.954 nan 8.310 nan 0.000 0.561 200 Y N -0.254 120.083 120.300 0.063 0.000 2.207 200 Y HA -0.042 4.508 4.550 -0.000 0.000 0.287 200 Y C 1.862 177.801 175.900 0.064 0.000 1.156 200 Y CA 1.210 59.315 58.100 0.009 0.000 1.182 200 Y CB -1.085 37.374 38.460 -0.001 0.000 0.979 200 Y HN 0.293 nan 8.280 nan 0.000 0.521 201 V N 1.458 121.254 119.914 -0.196 0.000 2.343 201 V HA -0.327 3.793 4.120 -0.000 0.000 0.247 201 V C 2.920 179.019 176.094 0.009 0.000 1.051 201 V CA 1.804 64.086 62.300 -0.029 0.000 1.036 201 V CB -1.389 30.335 31.823 -0.164 0.000 0.654 201 V HN 0.679 nan 8.190 nan 0.000 0.451 202 A N -0.138 122.659 122.820 -0.038 0.000 1.858 202 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 202 A C 2.186 179.756 177.584 -0.024 0.000 1.190 202 A CA 1.938 53.950 52.037 -0.042 0.000 0.617 202 A CB -0.529 18.452 19.000 -0.032 0.000 0.827 202 A HN 0.508 nan 8.150 nan 0.000 0.443 203 L N -1.054 120.191 121.223 0.036 0.000 2.109 203 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 203 L C 2.552 179.455 176.870 0.054 0.000 1.086 203 L CA 1.277 56.153 54.840 0.060 0.000 0.760 203 L CB -0.663 41.458 42.059 0.104 0.000 0.910 203 L HN 0.460 nan 8.230 nan 0.000 0.437 204 E N -0.248 120.016 120.200 0.106 0.000 2.058 204 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 204 E C 2.343 178.938 176.600 -0.009 0.000 0.997 204 E CA 1.776 58.276 56.400 0.166 0.000 0.801 204 E CB -0.178 29.711 29.700 0.315 0.000 0.746 204 E HN 0.520 nan 8.360 nan 0.000 0.450 205 C N 0.571 119.765 119.300 -0.178 0.000 2.446 205 C HA -0.047 4.413 4.460 -0.000 0.000 0.277 205 C C 2.901 177.463 174.990 -0.713 0.000 1.275 205 C CA 0.601 59.167 59.018 -0.754 0.000 1.727 205 C CB -0.990 26.519 27.740 -0.385 0.000 2.010 205 C HN 0.531 nan 8.230 nan 0.000 0.486 206 A N 1.151 123.771 122.820 -0.334 0.000 1.903 206 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 206 A C 2.394 179.860 177.584 -0.197 0.000 1.191 206 A CA 2.461 54.349 52.037 -0.248 0.000 0.638 206 A CB -1.427 17.465 19.000 -0.180 0.000 0.823 206 A HN 0.568 nan 8.150 nan 0.000 0.451 207 G N -0.361 108.374 108.800 -0.108 0.000 2.446 207 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.217 207 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.217 207 G C 1.388 176.354 174.900 0.110 0.000 1.168 207 G CA 1.439 46.566 45.100 0.045 0.000 0.771 207 G HN 0.837 nan 8.290 nan 0.000 0.551 208 F N 0.545 120.590 119.950 0.158 0.000 2.293 208 F HA 0.314 4.841 4.527 -0.000 0.000 0.297 208 F C 2.194 178.055 175.800 0.101 0.000 1.089 208 F CA 0.128 58.214 58.000 0.144 0.000 1.377 208 F CB -0.723 38.389 39.000 0.186 0.000 1.051 208 F HN 0.038 nan 8.300 nan 0.000 0.511 209 L N 0.949 122.176 121.223 0.007 0.000 2.079 209 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 209 L C 2.931 179.845 176.870 0.074 0.000 1.081 209 L CA 1.341 56.242 54.840 0.101 0.000 0.752 209 L CB -1.141 40.867 42.059 -0.085 0.000 0.896 209 L HN 0.381 nan 8.230 nan 0.000 0.433 210 A N 0.186 123.020 122.820 0.023 0.000 1.898 210 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 210 A C 2.400 180.021 177.584 0.060 0.000 1.181 210 A CA 1.501 53.556 52.037 0.029 0.000 0.620 210 A CB -1.144 17.863 19.000 0.012 0.000 0.819 210 A HN 0.430 nan 8.150 nan 0.000 0.442 211 G N -0.247 108.610 108.800 0.095 0.000 2.448 211 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.219 211 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.219 211 G C 1.318 176.231 174.900 0.022 0.000 1.127 211 G CA 0.987 46.133 45.100 0.077 0.000 0.766 211 G HN 0.490 nan 8.290 nan 0.000 0.552 212 I N 0.518 121.097 120.570 0.015 0.000 3.564 212 I HA 0.142 4.312 4.170 -0.000 0.000 0.294 212 I C 1.944 178.069 176.117 0.014 0.000 1.289 212 I CA 0.672 61.907 61.300 -0.108 0.000 1.325 212 I CB 0.119 38.057 38.000 -0.103 0.000 1.039 212 I HN 0.334 nan 8.210 nan 0.000 0.474 213 G N 1.013 109.840 108.800 0.045 0.000 2.163 213 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.213 213 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.213 213 G C 0.208 175.141 174.900 0.055 0.000 0.991 213 G CA -0.481 44.653 45.100 0.055 0.000 0.653 213 G HN 0.218 nan 8.290 nan 0.000 0.518 214 L N 0.758 122.016 121.223 0.057 0.000 2.439 214 L HA 0.468 4.808 4.340 -0.000 0.000 0.261 214 L C 0.366 177.243 176.870 0.012 0.000 1.153 214 L CA -0.771 54.091 54.840 0.036 0.000 0.808 214 L CB 0.664 42.742 42.059 0.031 0.000 1.126 214 L HN 0.102 nan 8.230 nan 0.000 0.460 215 D N 1.743 122.146 120.400 0.006 0.000 2.339 215 D HA 0.297 4.937 4.640 -0.000 0.000 0.241 215 D C -1.022 175.274 176.300 -0.006 0.000 1.183 215 D CA -0.107 53.894 54.000 0.001 0.000 0.859 215 D CB 1.035 41.840 40.800 0.008 0.000 1.067 215 D HN 0.065 nan 8.370 nan 0.000 0.484 216 V N 3.556 123.446 119.914 -0.040 0.000 2.540 216 V HA 0.475 4.595 4.120 -0.000 0.000 0.302 216 V C 0.382 176.397 176.094 -0.132 0.000 1.035 216 V CA -0.693 61.552 62.300 -0.091 0.000 0.873 216 V CB 2.106 33.854 31.823 -0.124 0.000 0.992 216 V HN 0.518 nan 8.190 nan 0.000 0.428 217 T N 3.519 117.976 114.554 -0.161 0.000 2.841 217 T HA 0.636 4.986 4.350 -0.000 0.000 0.283 217 T C -0.651 173.870 174.700 -0.298 0.000 1.000 217 T CA -0.444 61.533 62.100 -0.204 0.000 0.977 217 T CB 1.900 70.729 68.868 -0.065 0.000 0.979 217 T HN 0.364 nan 8.240 nan 0.000 0.446 218 V N 3.864 123.545 119.914 -0.389 0.000 2.409 218 V HA 0.490 4.610 4.120 -0.000 0.000 0.291 218 V C -0.252 175.784 176.094 -0.096 0.000 1.020 218 V CA -0.758 61.365 62.300 -0.296 0.000 0.848 218 V CB 1.579 33.147 31.823 -0.425 0.000 0.990 218 V HN 0.865 nan 8.190 nan 0.000 0.430 219 M N 5.826 125.400 119.600 -0.043 0.000 2.129 219 M HA 0.628 5.108 4.480 -0.000 0.000 0.348 219 M C -1.314 175.042 176.300 0.093 0.000 1.116 219 M CA -0.314 55.015 55.300 0.049 0.000 1.022 219 M CB 1.310 33.919 32.600 0.015 0.000 1.599 219 M HN 0.485 nan 8.290 nan 0.000 0.449 220 V N 5.299 125.304 119.914 0.152 0.000 2.715 220 V HA 0.447 4.567 4.120 -0.000 0.000 0.310 220 V C 0.670 176.826 176.094 0.104 0.000 1.054 220 V CA -0.683 61.693 62.300 0.127 0.000 0.928 220 V CB 1.779 33.693 31.823 0.150 0.000 1.007 220 V HN 0.962 nan 8.190 nan 0.000 0.437 221 R N 1.671 122.212 120.500 0.068 0.000 2.052 221 R HA -0.014 4.326 4.340 -0.000 0.000 0.224 221 R C 1.486 177.800 176.300 0.022 0.000 1.149 221 R CA 1.833 57.959 56.100 0.042 0.000 0.962 221 R CB 0.190 30.509 30.300 0.032 0.000 0.856 221 R HN 0.912 nan 8.270 nan 0.000 0.433 222 S N 0.209 115.924 115.700 0.026 0.000 3.669 222 S HA 0.252 4.722 4.470 -0.000 0.000 0.171 222 S C 0.766 175.376 174.600 0.016 0.000 0.855 222 S CA -0.362 57.845 58.200 0.013 0.000 1.037 222 S CB -0.410 62.794 63.200 0.007 0.000 1.477 222 S HN 0.336 nan 8.310 nan 0.000 0.854 223 I N 1.010 121.592 120.570 0.020 0.000 2.577 223 I HA 0.566 4.736 4.170 -0.000 0.000 0.305 223 I C -0.740 175.394 176.117 0.029 0.000 0.986 223 I CA -1.209 60.100 61.300 0.015 0.000 1.189 223 I CB 0.943 38.955 38.000 0.019 0.000 1.355 223 I HN 0.360 nan 8.210 nan 0.000 0.476 224 L N 5.103 126.332 121.223 0.009 0.000 2.397 224 L HA 0.269 4.609 4.340 -0.000 0.000 0.271 224 L C 0.339 177.246 176.870 0.062 0.000 1.148 224 L CA -0.766 54.086 54.840 0.021 0.000 0.825 224 L CB 0.775 42.812 42.059 -0.036 0.000 1.117 224 L HN 0.693 nan 8.230 nan 0.000 0.456 225 L N 2.194 123.473 121.223 0.093 0.000 3.823 225 L HA -0.227 4.113 4.340 -0.000 0.000 0.525 225 L C 0.845 177.919 176.870 0.340 0.000 1.247 225 L CA 0.207 55.159 54.840 0.187 0.000 0.776 225 L CB -1.200 40.862 42.059 0.006 0.000 1.443 225 L HN 0.735 nan 8.230 nan 0.000 0.831 226 R N 0.955 121.602 120.500 0.245 0.000 2.585 226 R HA 0.244 4.584 4.340 -0.000 0.000 0.275 226 R C 1.438 177.885 176.300 0.244 0.000 1.018 226 R CA 1.358 57.575 56.100 0.196 0.000 1.072 226 R CB 0.362 30.736 30.300 0.124 0.000 0.953 226 R HN 0.561 nan 8.270 nan 0.000 0.419 227 G N 3.276 112.162 108.800 0.144 0.000 2.308 227 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.221 227 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.221 227 G C -0.105 174.754 174.900 -0.068 0.000 1.032 227 G CA -0.074 45.028 45.100 0.002 0.000 0.623 227 G HN 0.519 nan 8.290 nan 0.000 0.506 228 F N 1.951 121.986 119.950 0.141 0.000 2.378 228 F HA 0.507 5.034 4.527 0.000 0.000 0.325 228 F C 0.786 176.664 175.800 0.129 0.000 1.097 228 F CA -0.525 57.591 58.000 0.193 0.000 1.079 228 F CB 0.723 39.883 39.000 0.266 0.000 1.240 228 F HN -0.003 nan 8.300 nan 0.000 0.519 229 D N 2.069 122.670 120.400 0.336 0.000 2.502 229 D HA -0.096 4.544 4.640 -0.000 0.000 0.249 229 D C 0.718 177.045 176.300 0.046 0.000 1.188 229 D CA 0.254 54.325 54.000 0.119 0.000 0.890 229 D CB 0.931 41.711 40.800 -0.034 0.000 1.140 229 D HN 0.489 nan 8.370 nan 0.000 0.505 230 Q N 3.046 122.857 119.800 0.020 0.000 2.230 230 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 230 Q C 1.295 177.255 176.000 -0.066 0.000 0.963 230 Q CA 0.843 56.640 55.803 -0.009 0.000 0.866 230 Q CB -0.080 28.658 28.738 0.000 0.000 0.931 230 Q HN 0.646 nan 8.270 nan 0.000 0.452 231 D N 0.206 120.559 120.400 -0.080 0.000 2.117 231 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 231 D C 1.697 177.897 176.300 -0.167 0.000 0.987 231 D CA 1.139 55.072 54.000 -0.111 0.000 0.829 231 D CB 0.189 40.936 40.800 -0.087 0.000 0.961 231 D HN 0.024 nan 8.370 nan 0.000 0.460 232 M N 0.436 119.918 119.600 -0.197 0.000 2.132 232 M HA 0.059 4.539 4.480 -0.000 0.000 0.263 232 M C 2.438 178.524 176.300 -0.357 0.000 1.065 232 M CA 1.161 56.262 55.300 -0.332 0.000 1.122 232 M CB -1.449 30.777 32.600 -0.624 0.000 1.365 232 M HN 0.129 nan 8.290 nan 0.000 0.411 233 A N 1.432 124.093 122.820 -0.265 0.000 1.892 233 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 233 A C 2.038 179.527 177.584 -0.158 0.000 1.188 233 A CA 2.060 53.986 52.037 -0.186 0.000 0.631 233 A CB -0.882 18.075 19.000 -0.072 0.000 0.822 233 A HN 0.518 nan 8.150 nan 0.000 0.447 234 N N -0.156 118.459 118.700 -0.143 0.000 2.244 234 N HA -0.092 4.648 4.740 -0.000 0.000 0.183 234 N C 1.571 177.002 175.510 -0.132 0.000 1.016 234 N CA 1.266 54.234 53.050 -0.137 0.000 0.866 234 N CB -0.293 38.123 38.487 -0.117 0.000 0.980 234 N HN 0.580 nan 8.380 nan 0.000 0.430 235 K N 0.779 121.093 120.400 -0.144 0.000 2.057 235 K HA 0.035 4.355 4.320 -0.000 0.000 0.206 235 K C 2.072 178.643 176.600 -0.048 0.000 1.050 235 K CA 0.653 56.874 56.287 -0.109 0.000 0.935 235 K CB -0.062 32.338 32.500 -0.167 0.000 0.715 235 K HN 0.162 nan 8.250 nan 0.000 0.439 236 I N 0.783 121.301 120.570 -0.086 0.000 2.163 236 I HA -0.224 3.946 4.170 -0.000 0.000 0.243 236 I C 2.539 178.686 176.117 0.050 0.000 1.085 236 I CA 1.510 62.799 61.300 -0.019 0.000 1.347 236 I CB -0.784 37.175 38.000 -0.068 0.000 1.044 236 I HN 0.288 nan 8.210 nan 0.000 0.408 237 G N 0.298 109.068 108.800 -0.050 0.000 2.418 237 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 237 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 237 G C 1.515 176.360 174.900 -0.092 0.000 1.158 237 G CA 0.621 45.627 45.100 -0.157 0.000 0.771 237 G HN 0.413 nan 8.290 nan 0.000 0.545 238 E N -0.647 119.521 120.200 -0.053 0.000 2.118 238 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 238 E C 2.180 178.843 176.600 0.106 0.000 0.992 238 E CA 0.837 57.237 56.400 0.000 0.000 0.804 238 E CB -0.259 29.439 29.700 -0.004 0.000 0.741 238 E HN 0.563 nan 8.360 nan 0.000 0.458 239 H N 0.526 119.634 119.070 0.064 0.000 2.326 239 H HA -0.062 4.494 4.556 -0.000 0.000 0.301 239 H C 2.098 177.550 175.328 0.207 0.000 1.081 239 H CA 1.413 57.538 56.048 0.128 0.000 1.334 239 H CB 0.045 29.835 29.762 0.046 0.000 1.385 239 H HN 0.154 nan 8.280 nan 0.000 0.504 240 M N 0.365 120.105 119.600 0.232 0.000 2.108 240 M HA -0.170 4.310 4.480 -0.000 0.000 0.261 240 M C 2.438 178.890 176.300 0.254 0.000 1.066 240 M CA 1.784 57.233 55.300 0.248 0.000 1.107 240 M CB -0.268 32.564 32.600 0.386 0.000 1.356 240 M HN 0.335 nan 8.290 nan 0.000 0.406 241 E N 0.669 121.059 120.200 0.316 0.000 2.106 241 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 241 E C 1.593 178.254 176.600 0.102 0.000 0.984 241 E CA 1.210 57.767 56.400 0.262 0.000 0.806 241 E CB 0.110 29.942 29.700 0.219 0.000 0.750 241 E HN 0.534 nan 8.360 nan 0.000 0.458 242 E N -0.840 119.396 120.200 0.061 0.000 2.274 242 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 242 E C 0.308 176.767 176.600 -0.235 0.000 0.996 242 E CA 0.631 56.989 56.400 -0.070 0.000 0.840 242 E CB 0.090 29.745 29.700 -0.075 0.000 0.772 242 E HN 0.353 nan 8.360 nan 0.000 0.491 243 H N -1.346 117.636 119.070 -0.148 0.000 2.507 243 H HA 0.322 4.878 4.556 0.000 0.000 0.281 243 H C 0.736 176.024 175.328 -0.067 0.000 1.160 243 H CA 0.294 56.258 56.048 -0.140 0.000 0.981 243 H CB 0.718 30.336 29.762 -0.239 0.000 1.665 243 H HN 0.241 nan 8.280 nan 0.000 0.554 244 G N 0.202 109.008 108.800 0.010 0.000 2.345 244 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 244 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 244 G C 0.379 175.275 174.900 -0.007 0.000 1.058 244 G CA -0.139 44.962 45.100 0.002 0.000 0.632 244 G HN 0.351 nan 8.290 nan 0.000 0.508 245 I N 2.191 122.759 120.570 -0.004 0.000 2.598 245 I HA 0.219 4.389 4.170 -0.000 0.000 0.284 245 I C 0.649 176.686 176.117 -0.133 0.000 1.140 245 I CA 0.312 61.548 61.300 -0.106 0.000 1.420 245 I CB 0.693 38.607 38.000 -0.145 0.000 1.387 245 I HN 0.091 nan 8.210 nan 0.000 0.553 246 K N 5.957 126.237 120.400 -0.199 0.000 2.143 246 K HA 0.542 4.862 4.320 -0.000 0.000 0.272 246 K C -1.124 175.297 176.600 -0.298 0.000 1.001 246 K CA -0.367 55.849 56.287 -0.118 0.000 0.915 246 K CB 1.250 33.719 32.500 -0.052 0.000 1.047 246 K HN 0.266 nan 8.250 nan 0.000 0.458 247 F N 2.422 122.380 119.950 0.014 0.000 2.507 247 F HA 0.429 4.956 4.527 -0.000 0.000 0.325 247 F C -0.068 175.752 175.800 0.033 0.000 1.116 247 F CA -0.780 57.232 58.000 0.020 0.000 0.930 247 F CB 1.161 40.174 39.000 0.021 0.000 1.146 247 F HN 0.205 nan 8.300 nan 0.000 0.447 248 I N 5.084 125.777 120.570 0.205 0.000 2.355 248 I HA 0.431 4.601 4.170 -0.000 0.000 0.288 248 I C -0.413 175.868 176.117 0.273 0.000 0.999 248 I CA -0.864 60.549 61.300 0.188 0.000 1.163 248 I CB 0.814 38.855 38.000 0.068 0.000 1.316 248 I HN 0.365 nan 8.210 nan 0.000 0.454 249 R N 4.690 125.362 120.500 0.285 0.000 2.407 249 R HA 0.412 4.752 4.340 -0.000 0.000 0.303 249 R C -0.267 176.153 176.300 0.200 0.000 0.981 249 R CA -0.828 55.398 56.100 0.211 0.000 0.905 249 R CB 1.105 31.477 30.300 0.120 0.000 1.099 249 R HN 0.573 nan 8.270 nan 0.000 0.459 250 Q N 0.544 120.392 119.800 0.081 0.000 2.464 250 Q HA -0.201 4.139 4.340 -0.000 0.000 0.304 250 Q C -1.394 174.425 176.000 -0.302 0.000 1.401 250 Q CA 0.864 56.612 55.803 -0.092 0.000 0.806 250 Q CB -1.314 27.325 28.738 -0.165 0.000 1.134 250 Q HN 0.467 nan 8.270 nan 0.000 0.411 251 F N -1.248 118.722 119.950 0.032 0.000 2.591 251 F HA 0.723 5.250 4.527 0.000 0.000 0.309 251 F C -0.116 175.699 175.800 0.025 0.000 1.098 251 F CA -1.031 56.987 58.000 0.030 0.000 0.937 251 F CB 1.876 40.897 39.000 0.035 0.000 1.250 251 F HN -0.173 nan 8.300 nan 0.000 0.447 252 V N 2.833 122.877 119.914 0.216 0.000 2.709 252 V HA 0.465 4.585 4.120 -0.000 0.000 0.308 252 V C -2.503 173.672 176.094 0.134 0.000 1.062 252 V CA -2.320 60.059 62.300 0.131 0.000 0.901 252 V CB 2.155 34.023 31.823 0.074 0.000 1.003 252 V HN 0.441 nan 8.190 nan 0.000 0.425 253 P HA 0.268 nan 4.420 nan 0.000 0.268 253 P C 0.654 178.002 177.300 0.080 0.000 1.205 253 P CA 0.072 63.222 63.100 0.084 0.000 0.771 253 P CB 0.509 32.243 31.700 0.057 0.000 0.858 254 I N -0.658 119.961 120.570 0.081 0.000 4.181 254 I HA 0.422 4.592 4.170 -0.000 0.000 0.331 254 I C 0.345 176.502 176.117 0.067 0.000 1.312 254 I CA 0.223 61.565 61.300 0.070 0.000 1.146 254 I CB 0.295 38.336 38.000 0.069 0.000 1.074 254 I HN 0.126 nan 8.210 nan 0.000 0.402 255 K N 1.155 121.598 120.400 0.072 0.000 2.569 255 K HA 0.596 4.916 4.320 -0.000 0.000 0.259 255 K C -1.932 174.724 176.600 0.092 0.000 0.932 255 K CA -0.532 55.802 56.287 0.078 0.000 0.833 255 K CB 3.175 35.716 32.500 0.068 0.000 1.340 255 K HN -0.062 nan 8.250 nan 0.000 0.429 256 V N 3.952 123.938 119.914 0.121 0.000 2.487 256 V HA 0.439 4.559 4.120 -0.000 0.000 0.298 256 V C -0.949 175.270 176.094 0.210 0.000 1.028 256 V CA -0.584 61.808 62.300 0.153 0.000 0.860 256 V CB 1.642 33.572 31.823 0.180 0.000 0.991 256 V HN 0.846 nan 8.190 nan 0.000 0.427 257 E N 3.570 123.846 120.200 0.127 0.000 2.317 257 E HA 0.526 4.876 4.350 -0.000 0.000 0.270 257 E C -1.064 175.460 176.600 -0.127 0.000 0.885 257 E CA -1.008 55.435 56.400 0.072 0.000 0.760 257 E CB 2.580 32.316 29.700 0.059 0.000 1.227 257 E HN 0.578 nan 8.360 nan 0.000 0.434 258 Q N 2.562 122.137 119.800 -0.376 0.000 2.314 258 Q HA 0.201 4.541 4.340 -0.000 0.000 0.257 258 Q C 0.151 176.013 176.000 -0.230 0.000 0.975 258 Q CA -0.093 55.423 55.803 -0.479 0.000 0.933 258 Q CB 0.753 28.984 28.738 -0.845 0.000 1.195 258 Q HN 0.746 nan 8.270 nan 0.000 0.426 259 I N 2.783 123.254 120.570 -0.164 0.000 2.277 259 I HA -0.027 4.143 4.170 -0.000 0.000 0.243 259 I C 0.733 176.784 176.117 -0.110 0.000 1.094 259 I CA 1.207 62.441 61.300 -0.110 0.000 1.393 259 I CB 0.184 38.130 38.000 -0.090 0.000 1.078 259 I HN 0.704 nan 8.210 nan 0.000 0.417 260 E N 0.967 121.091 120.200 -0.126 0.000 2.321 260 E HA 0.753 5.103 4.350 -0.000 0.000 0.281 260 E C -0.812 175.712 176.600 -0.127 0.000 0.910 260 E CA -0.300 56.035 56.400 -0.108 0.000 0.770 260 E CB 0.972 30.620 29.700 -0.086 0.000 1.225 260 E HN 0.283 nan 8.360 nan 0.000 0.417 261 A N 0.471 123.224 122.820 -0.112 0.000 2.366 261 A HA 0.971 5.291 4.320 -0.000 0.000 0.249 261 A C 1.041 178.559 177.584 -0.109 0.000 1.084 261 A CA 0.670 52.643 52.037 -0.106 0.000 0.794 261 A CB 0.458 19.419 19.000 -0.064 0.000 1.034 261 A HN 2.157 nan 8.150 nan 0.000 0.491 262 G N -1.263 107.455 108.800 -0.135 0.000 2.336 262 G HA2 0.529 4.489 3.960 -0.000 0.000 0.286 262 G HA3 0.529 4.489 3.960 -0.000 0.000 0.286 262 G C -0.582 174.121 174.900 -0.328 0.000 1.269 262 G CA 0.353 45.346 45.100 -0.179 0.000 0.873 262 G HN 1.751 nan 8.290 nan 0.000 0.494 263 T N -0.371 113.929 114.554 -0.422 0.000 3.446 263 T HA 0.625 4.975 4.350 -0.000 0.000 0.289 263 T C -2.794 171.531 174.700 -0.626 0.000 1.203 263 T CA -0.839 60.757 62.100 -0.840 0.000 1.645 263 T CB 1.573 70.180 68.868 -0.434 0.000 0.841 263 T HN 0.578 nan 8.240 nan 0.000 0.617 264 P HA 0.545 nan 4.420 nan 0.000 0.279 264 P C 0.645 177.772 177.300 -0.289 0.000 1.252 264 P CA -0.110 62.669 63.100 -0.536 0.000 0.811 264 P CB 1.273 32.865 31.700 -0.180 0.000 1.035 265 G N 1.573 110.235 108.800 -0.229 0.000 2.509 265 G HA2 0.407 4.367 3.960 -0.000 0.000 0.269 265 G HA3 0.407 4.367 3.960 -0.000 0.000 0.269 265 G C -0.504 174.332 174.900 -0.107 0.000 1.416 265 G CA -0.764 44.246 45.100 -0.151 0.000 1.052 265 G HN 0.452 nan 8.290 nan 0.000 0.542 266 R N -0.697 119.742 120.500 -0.101 0.000 2.534 266 R HA 0.498 4.838 4.340 -0.000 0.000 0.301 266 R C -1.146 175.101 176.300 -0.088 0.000 0.961 266 R CA -0.474 55.578 56.100 -0.080 0.000 0.871 266 R CB 1.833 32.083 30.300 -0.083 0.000 1.170 266 R HN 0.273 nan 8.270 nan 0.000 0.446 267 L N 2.149 123.346 121.223 -0.045 0.000 2.362 267 L HA 0.601 4.940 4.340 -0.000 0.000 0.271 267 L C -0.068 176.804 176.870 0.003 0.000 1.002 267 L CA -0.994 53.825 54.840 -0.034 0.000 0.818 267 L CB 2.287 44.358 42.059 0.020 0.000 1.298 267 L HN 0.397 nan 8.230 nan 0.000 0.420 268 R N 1.603 122.101 120.500 -0.004 0.000 2.346 268 R HA 0.657 4.997 4.340 -0.000 0.000 0.311 268 R C -1.579 174.762 176.300 0.069 0.000 0.983 268 R CA -0.472 55.635 56.100 0.012 0.000 0.880 268 R CB 1.641 31.933 30.300 -0.014 0.000 1.100 268 R HN 0.458 nan 8.270 nan 0.000 0.453 269 V N 5.933 125.914 119.914 0.111 0.000 2.357 269 V HA 0.276 4.396 4.120 -0.000 0.000 0.284 269 V C -0.423 175.720 176.094 0.081 0.000 1.018 269 V CA -0.711 61.662 62.300 0.122 0.000 0.841 269 V CB 1.793 33.727 31.823 0.186 0.000 0.991 269 V HN 0.542 nan 8.190 nan 0.000 0.437 270 V N 4.539 124.492 119.914 0.065 0.000 2.407 270 V HA 0.836 4.956 4.120 -0.000 0.000 0.278 270 V C 0.411 176.546 176.094 0.069 0.000 1.037 270 V CA -0.324 62.007 62.300 0.052 0.000 0.900 270 V CB 1.323 33.176 31.823 0.050 0.000 0.983 270 V HN 0.952 nan 8.190 nan 0.000 0.459 271 A N 4.254 127.116 122.820 0.069 0.000 2.401 271 A HA 0.799 5.119 4.320 -0.000 0.000 0.310 271 A C -0.747 176.992 177.584 0.259 0.000 1.075 271 A CA -0.706 51.415 52.037 0.139 0.000 0.746 271 A CB 1.824 20.889 19.000 0.108 0.000 1.277 271 A HN 0.779 nan 8.150 nan 0.000 0.425 272 Q N 0.925 120.906 119.800 0.301 0.000 2.309 272 Q HA 0.561 4.901 4.340 -0.000 0.000 0.264 272 Q C 0.106 176.224 176.000 0.197 0.000 1.008 272 Q CA -0.444 55.525 55.803 0.277 0.000 0.853 272 Q CB 1.609 30.422 28.738 0.125 0.000 1.314 272 Q HN 0.916 nan 8.270 nan 0.000 0.448 273 S N 1.555 117.213 115.700 -0.071 0.000 2.576 273 S HA 0.007 4.477 4.470 -0.000 0.000 0.272 273 S C 0.751 175.157 174.600 -0.324 0.000 1.352 273 S CA 0.300 58.087 58.200 -0.690 0.000 1.021 273 S CB 0.919 63.779 63.200 -0.566 0.000 0.887 273 S HN 0.804 nan 8.310 nan 0.000 0.542 274 T N 1.876 116.218 114.554 -0.352 0.000 3.035 274 T HA 0.089 4.439 4.350 -0.000 0.000 0.259 274 T C 1.327 175.950 174.700 -0.129 0.000 1.078 274 T CA 1.035 63.029 62.100 -0.176 0.000 1.132 274 T CB -0.385 68.389 68.868 -0.156 0.000 0.900 274 T HN 0.848 nan 8.240 nan 0.000 0.480 275 N N 0.213 118.821 118.700 -0.153 0.000 2.170 275 N HA 0.119 4.858 4.740 -0.000 0.000 0.222 275 N C 0.237 175.698 175.510 -0.081 0.000 1.218 275 N CA -0.216 52.776 53.050 -0.097 0.000 0.889 275 N CB 0.830 39.266 38.487 -0.086 0.000 1.083 275 N HN 0.312 nan 8.380 nan 0.000 0.520 276 S N 0.302 115.944 115.700 -0.096 0.000 2.776 276 S HA 0.329 4.799 4.470 -0.000 0.000 0.292 276 S C -0.581 173.998 174.600 -0.035 0.000 1.187 276 S CA -0.634 57.534 58.200 -0.054 0.000 0.834 276 S CB 1.558 64.732 63.200 -0.042 0.000 1.199 276 S HN 0.007 nan 8.310 nan 0.000 0.514 277 E N 0.410 120.607 120.200 -0.005 0.000 2.437 277 E HA 0.238 4.588 4.350 -0.000 0.000 0.189 277 E C 0.084 176.712 176.600 0.047 0.000 1.054 277 E CA -0.151 56.259 56.400 0.017 0.000 0.874 277 E CB -0.046 29.665 29.700 0.018 0.000 1.011 277 E HN 0.670 nan 8.360 nan 0.000 0.474 278 E N 1.413 121.648 120.200 0.058 0.000 2.414 278 E HA 0.083 4.433 4.350 -0.000 0.000 0.263 278 E C -0.573 176.163 176.600 0.226 0.000 1.000 278 E CA 0.067 56.544 56.400 0.129 0.000 0.914 278 E CB 0.488 30.285 29.700 0.162 0.000 0.948 278 E HN 0.152 nan 8.360 nan 0.000 0.444 279 I N 6.159 126.843 120.570 0.189 0.000 2.509 279 I HA 0.370 4.540 4.170 -0.000 0.000 0.293 279 I C -0.125 176.050 176.117 0.097 0.000 1.020 279 I CA -0.940 60.466 61.300 0.176 0.000 1.088 279 I CB 1.509 39.567 38.000 0.097 0.000 1.267 279 I HN 0.521 nan 8.210 nan 0.000 0.430 280 I N 2.329 122.900 120.570 0.003 0.000 2.785 280 I HA 0.642 4.812 4.170 -0.000 0.000 0.302 280 I C -1.114 174.951 176.117 -0.087 0.000 1.069 280 I CA -0.580 60.649 61.300 -0.118 0.000 1.045 280 I CB 2.309 40.111 38.000 -0.329 0.000 1.236 280 I HN 0.481 nan 8.210 nan 0.000 0.429 281 E N 2.613 122.768 120.200 -0.075 0.000 2.256 281 E HA 0.765 5.115 4.350 -0.000 0.000 0.267 281 E C -0.696 175.857 176.600 -0.079 0.000 0.892 281 E CA -1.196 55.174 56.400 -0.051 0.000 0.775 281 E CB 2.488 32.165 29.700 -0.039 0.000 1.207 281 E HN 0.974 nan 8.360 nan 0.000 0.420 282 G N 1.129 109.887 108.800 -0.069 0.000 2.718 282 G HA2 0.430 4.390 3.960 -0.000 0.000 0.295 282 G HA3 0.430 4.390 3.960 -0.000 0.000 0.295 282 G C -1.521 173.190 174.900 -0.315 0.000 1.421 282 G CA -0.760 44.212 45.100 -0.214 0.000 0.902 282 G HN 0.560 nan 8.290 nan 0.000 0.501 283 E N 0.148 120.029 120.200 -0.532 0.000 2.199 283 E HA 0.713 5.063 4.350 -0.000 0.000 0.269 283 E C -1.656 174.525 176.600 -0.698 0.000 0.899 283 E CA -0.881 55.266 56.400 -0.422 0.000 0.772 283 E CB 2.085 31.652 29.700 -0.222 0.000 1.155 283 E HN 0.483 nan 8.360 nan 0.000 0.408 284 Y N 1.469 121.736 120.300 -0.054 0.000 2.576 284 Y HA 0.269 4.819 4.550 -0.000 0.000 0.346 284 Y C 0.642 176.509 175.900 -0.055 0.000 1.018 284 Y CA -0.921 57.146 58.100 -0.054 0.000 1.050 284 Y CB 2.144 40.574 38.460 -0.050 0.000 1.280 284 Y HN 0.559 nan 8.280 nan 0.000 0.474 285 N N -0.624 118.143 118.700 0.112 0.000 2.207 285 N HA 0.026 4.766 4.740 -0.000 0.000 0.182 285 N C -0.494 175.046 175.510 0.050 0.000 1.020 285 N CA 1.065 54.136 53.050 0.036 0.000 0.858 285 N CB 0.315 38.804 38.487 0.004 0.000 0.991 285 N HN 0.450 nan 8.380 nan 0.000 0.427 286 T N 0.132 114.725 114.554 0.064 0.000 2.912 286 T HA 0.505 4.855 4.350 -0.000 0.000 0.299 286 T C -1.207 173.484 174.700 -0.015 0.000 1.052 286 T CA -0.577 61.545 62.100 0.038 0.000 0.996 286 T CB 2.736 71.608 68.868 0.006 0.000 1.070 286 T HN -0.350 nan 8.240 nan 0.000 0.465 287 V N 4.040 123.943 119.914 -0.018 0.000 2.443 287 V HA 0.492 4.612 4.120 -0.000 0.000 0.293 287 V C -0.419 175.628 176.094 -0.078 0.000 1.021 287 V CA -0.706 61.542 62.300 -0.086 0.000 0.848 287 V CB 1.715 33.512 31.823 -0.043 0.000 0.998 287 V HN 0.783 nan 8.190 nan 0.000 0.424 288 M N 5.851 125.373 119.600 -0.131 0.000 2.149 288 M HA 0.535 5.015 4.480 -0.000 0.000 0.342 288 M C -1.090 175.122 176.300 -0.147 0.000 1.068 288 M CA -0.496 54.725 55.300 -0.132 0.000 0.991 288 M CB 1.436 33.945 32.600 -0.152 0.000 1.596 288 M HN 0.492 nan 8.290 nan 0.000 0.439 289 L N 4.240 125.360 121.223 -0.172 0.000 2.259 289 L HA 0.450 4.790 4.340 -0.000 0.000 0.288 289 L C 0.292 177.050 176.870 -0.186 0.000 1.051 289 L CA -0.461 54.260 54.840 -0.198 0.000 0.824 289 L CB 0.995 42.868 42.059 -0.311 0.000 1.206 289 L HN 0.787 nan 8.230 nan 0.000 0.429 290 A N 4.992 127.731 122.820 -0.135 0.000 3.218 290 A HA 0.458 4.778 4.320 -0.000 0.000 0.321 290 A C 0.426 177.959 177.584 -0.085 0.000 1.012 290 A CA -0.347 51.624 52.037 -0.111 0.000 0.948 290 A CB -0.270 18.670 19.000 -0.100 0.000 1.050 290 A HN 0.817 nan 8.150 nan 0.000 0.492 291 I N -2.789 117.732 120.570 -0.081 0.000 3.816 291 I HA 0.654 4.824 4.170 -0.000 0.000 0.334 291 I C 0.516 176.615 176.117 -0.029 0.000 1.551 291 I CA 0.317 61.590 61.300 -0.045 0.000 1.153 291 I CB 0.176 38.155 38.000 -0.034 0.000 1.197 291 I HN 0.609 nan 8.210 nan 0.000 0.439 292 G N 1.246 110.022 108.800 -0.040 0.000 2.434 292 G HA2 0.025 3.985 3.960 -0.000 0.000 0.671 292 G HA3 0.025 3.985 3.960 -0.000 0.000 0.671 292 G C -1.047 173.852 174.900 -0.001 0.000 1.280 292 G CA -1.108 43.981 45.100 -0.017 0.000 0.975 292 G HN 0.439 nan 8.290 nan 0.000 0.510 293 R N -0.179 120.336 120.500 0.025 0.000 2.725 293 R HA 0.566 4.906 4.340 -0.000 0.000 0.277 293 R C -1.691 174.648 176.300 0.065 0.000 0.987 293 R CA -1.024 55.107 56.100 0.051 0.000 0.901 293 R CB 2.150 32.484 30.300 0.057 0.000 1.207 293 R HN 0.495 nan 8.270 nan 0.000 0.463 294 D N 1.226 121.675 120.400 0.082 0.000 2.278 294 D HA 0.306 4.946 4.640 -0.000 0.000 0.245 294 D C -0.410 175.943 176.300 0.088 0.000 1.052 294 D CA -0.378 53.671 54.000 0.081 0.000 0.834 294 D CB 2.036 42.888 40.800 0.087 0.000 1.194 294 D HN 0.589 nan 8.370 nan 0.000 0.481 295 A N 1.381 124.247 122.820 0.076 0.000 2.477 295 A HA 0.133 4.453 4.320 -0.000 0.000 0.246 295 A C 0.501 178.137 177.584 0.087 0.000 1.078 295 A CA -0.264 51.820 52.037 0.078 0.000 0.770 295 A CB 0.109 19.147 19.000 0.062 0.000 1.011 295 A HN 0.736 nan 8.150 nan 0.000 0.494 296 C N 2.895 122.252 119.300 0.096 0.000 2.865 296 C HA 0.325 4.785 4.460 -0.000 0.000 0.545 296 C C 1.695 176.742 174.990 0.094 0.000 1.154 296 C CA 0.289 59.373 59.018 0.111 0.000 1.375 296 C CB -2.207 25.611 27.740 0.130 0.000 1.627 296 C HN 0.907 nan 8.230 nan 0.000 0.623 297 T N -3.015 111.588 114.554 0.082 0.000 3.040 297 T HA 0.103 4.453 4.350 -0.000 0.000 0.266 297 T C 1.698 176.442 174.700 0.072 0.000 1.005 297 T CA -0.089 62.053 62.100 0.071 0.000 0.906 297 T CB 0.083 68.984 68.868 0.054 0.000 1.082 297 T HN 0.386 nan 8.240 nan 0.000 0.531 298 R N 1.774 122.321 120.500 0.080 0.000 2.112 298 R HA 0.161 4.501 4.340 -0.000 0.000 0.216 298 R C 0.937 177.288 176.300 0.084 0.000 1.080 298 R CA 0.463 56.605 56.100 0.070 0.000 0.996 298 R CB -0.181 30.157 30.300 0.063 0.000 0.902 298 R HN 0.260 nan 8.270 nan 0.000 0.449 299 K N 1.395 121.867 120.400 0.120 0.000 2.832 299 K HA 0.322 4.642 4.320 -0.000 0.000 0.211 299 K C 0.998 177.724 176.600 0.210 0.000 1.112 299 K CA -0.027 56.347 56.287 0.145 0.000 1.108 299 K CB -0.298 32.287 32.500 0.142 0.000 0.899 299 K HN 0.427 nan 8.250 nan 0.000 0.464 300 I N -3.854 116.806 120.570 0.150 0.000 3.947 300 I HA 0.470 4.640 4.170 -0.000 0.000 0.327 300 I C 0.834 177.053 176.117 0.169 0.000 1.519 300 I CA -0.193 61.176 61.300 0.115 0.000 1.122 300 I CB 0.498 38.516 38.000 0.031 0.000 1.146 300 I HN 0.332 nan 8.210 nan 0.000 0.442 301 G N 2.191 111.083 108.800 0.153 0.000 2.160 301 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.251 301 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.251 301 G C 0.638 175.620 174.900 0.136 0.000 1.008 301 G CA 0.555 45.749 45.100 0.156 0.000 0.724 301 G HN 0.486 nan 8.290 nan 0.000 0.514 302 L N -0.306 120.970 121.223 0.089 0.000 2.187 302 L HA -0.126 4.214 4.340 -0.000 0.000 0.213 302 L C 2.826 179.626 176.870 -0.117 0.000 1.100 302 L CA 2.102 56.904 54.840 -0.063 0.000 0.765 302 L CB -0.370 41.663 42.059 -0.042 0.000 0.904 302 L HN 0.513 nan 8.230 nan 0.000 0.437 303 E N -0.562 119.609 120.200 -0.048 0.000 2.110 303 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 303 E C 1.984 178.546 176.600 -0.062 0.000 0.988 303 E CA 1.643 58.013 56.400 -0.051 0.000 0.804 303 E CB -1.168 28.520 29.700 -0.020 0.000 0.745 303 E HN 0.495 nan 8.360 nan 0.000 0.458 304 T N -1.979 112.549 114.554 -0.044 0.000 3.051 304 T HA -0.016 4.334 4.350 -0.000 0.000 0.269 304 T C 1.650 176.299 174.700 -0.084 0.000 1.127 304 T CA 0.945 63.027 62.100 -0.030 0.000 1.107 304 T CB -0.048 68.837 68.868 0.029 0.000 0.898 304 T HN 0.112 nan 8.240 nan 0.000 0.517 305 V N -0.506 119.288 119.914 -0.200 0.000 3.451 305 V HA 0.557 4.677 4.120 -0.000 0.000 0.288 305 V C 1.506 177.430 176.094 -0.283 0.000 1.502 305 V CA 0.565 62.685 62.300 -0.300 0.000 1.026 305 V CB 0.207 31.621 31.823 -0.683 0.000 0.840 305 V HN 0.774 nan 8.190 nan 0.000 0.437 306 G N 0.639 109.305 108.800 -0.224 0.000 2.141 306 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.242 306 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.242 306 G C 0.141 174.922 174.900 -0.199 0.000 0.982 306 G CA 0.189 45.185 45.100 -0.173 0.000 0.662 306 G HN 0.561 nan 8.290 nan 0.000 0.527 307 V N 1.441 121.202 119.914 -0.256 0.000 2.508 307 V HA 0.278 4.398 4.120 -0.000 0.000 0.281 307 V C 0.962 176.969 176.094 -0.146 0.000 1.041 307 V CA 0.089 62.250 62.300 -0.232 0.000 1.016 307 V CB 1.239 32.897 31.823 -0.276 0.000 0.984 307 V HN 0.316 nan 8.190 nan 0.000 0.478 308 K N 6.003 126.330 120.400 -0.122 0.000 2.205 308 K HA 0.614 4.934 4.320 -0.000 0.000 0.279 308 K C -0.281 176.279 176.600 -0.068 0.000 1.027 308 K CA -0.238 55.999 56.287 -0.084 0.000 0.932 308 K CB 1.284 33.739 32.500 -0.075 0.000 1.032 308 K HN 0.733 nan 8.250 nan 0.000 0.466 309 I N -1.169 119.373 120.570 -0.047 0.000 3.042 309 I HA 0.391 4.561 4.170 -0.000 0.000 0.310 309 I C -0.716 175.387 176.117 -0.024 0.000 1.117 309 I CA -1.166 60.115 61.300 -0.032 0.000 1.003 309 I CB 2.013 40.003 38.000 -0.018 0.000 1.228 309 I HN 0.344 nan 8.210 nan 0.000 0.443 310 N N 3.069 121.759 118.700 -0.017 0.000 2.405 310 N HA 0.058 4.798 4.740 -0.000 0.000 0.260 310 N C 0.642 176.150 175.510 -0.004 0.000 1.152 310 N CA 0.264 53.307 53.050 -0.012 0.000 0.948 310 N CB 0.649 39.129 38.487 -0.010 0.000 1.111 310 N HN 0.608 nan 8.380 nan 0.000 0.485 311 E N 2.927 123.125 120.200 -0.005 0.000 2.204 311 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 311 E C 1.134 177.738 176.600 0.006 0.000 0.989 311 E CA 0.718 57.119 56.400 0.001 0.000 0.824 311 E CB 0.263 29.962 29.700 -0.002 0.000 0.756 311 E HN 0.644 nan 8.360 nan 0.000 0.477 312 K N 0.429 120.832 120.400 0.005 0.000 1.984 312 K HA -0.099 4.221 4.320 -0.000 0.000 0.209 312 K C 2.132 178.740 176.600 0.014 0.000 1.046 312 K CA 1.868 58.161 56.287 0.009 0.000 0.934 312 K CB -0.041 32.463 32.500 0.006 0.000 0.717 312 K HN 0.162 nan 8.250 nan 0.000 0.438 313 T N -3.551 111.011 114.554 0.012 0.000 3.065 313 T HA 0.172 4.522 4.350 -0.000 0.000 0.252 313 T C 1.343 176.057 174.700 0.023 0.000 1.099 313 T CA 0.829 62.939 62.100 0.018 0.000 1.063 313 T CB 0.407 69.283 68.868 0.013 0.000 0.948 313 T HN 0.457 nan 8.240 nan 0.000 0.506 314 G N 1.539 110.351 108.800 0.020 0.000 2.205 314 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.261 314 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.261 314 G C 0.191 175.105 174.900 0.023 0.000 0.980 314 G CA 0.205 45.320 45.100 0.026 0.000 0.632 314 G HN 0.611 nan 8.290 nan 0.000 0.533 315 K N 0.344 120.753 120.400 0.016 0.000 2.168 315 K HA 0.540 4.860 4.320 -0.000 0.000 0.258 315 K C 0.647 177.246 176.600 -0.002 0.000 1.010 315 K CA -0.361 55.933 56.287 0.011 0.000 0.929 315 K CB 0.935 33.438 32.500 0.005 0.000 0.998 315 K HN 0.334 nan 8.250 nan 0.000 0.479 316 I N 4.118 124.685 120.570 -0.005 0.000 2.312 316 I HA 0.167 4.337 4.170 -0.000 0.000 0.290 316 I C -2.111 173.986 176.117 -0.034 0.000 1.008 316 I CA -2.395 58.893 61.300 -0.019 0.000 1.226 316 I CB 1.495 39.488 38.000 -0.011 0.000 1.371 316 I HN 0.161 nan 8.210 nan 0.000 0.468 317 P HA 0.196 nan 4.420 nan 0.000 0.271 317 P C -0.637 176.626 177.300 -0.062 0.000 1.216 317 P CA -0.082 62.985 63.100 -0.054 0.000 0.776 317 P CB 1.495 33.163 31.700 -0.053 0.000 0.881 318 V N 1.568 121.443 119.914 -0.065 0.000 3.087 318 V HA 0.430 4.550 4.120 -0.000 0.000 0.306 318 V C 0.049 176.110 176.094 -0.056 0.000 1.187 318 V CA -0.505 61.759 62.300 -0.060 0.000 0.999 318 V CB 2.494 34.292 31.823 -0.041 0.000 1.049 318 V HN 0.775 nan 8.190 nan 0.000 0.431 319 T N 0.102 114.632 114.554 -0.041 0.000 2.766 319 T HA 0.159 4.509 4.350 -0.000 0.000 0.295 319 T C 0.869 175.568 174.700 -0.002 0.000 1.024 319 T CA 0.435 62.521 62.100 -0.023 0.000 1.018 319 T CB 0.656 69.517 68.868 -0.013 0.000 1.002 319 T HN 0.896 nan 8.240 nan 0.000 0.532 320 D N -1.067 119.338 120.400 0.008 0.000 2.403 320 D HA -0.083 4.557 4.640 -0.000 0.000 0.227 320 D C 1.011 177.361 176.300 0.083 0.000 0.995 320 D CA 0.603 54.627 54.000 0.039 0.000 0.928 320 D CB -0.247 40.577 40.800 0.040 0.000 0.887 320 D HN 0.824 nan 8.370 nan 0.000 0.529 321 E N -0.408 119.840 120.200 0.079 0.000 2.603 321 E HA 0.097 4.447 4.350 -0.000 0.000 0.211 321 E C -0.365 176.334 176.600 0.165 0.000 0.995 321 E CA -0.162 56.303 56.400 0.108 0.000 0.990 321 E CB 0.169 29.927 29.700 0.097 0.000 1.036 321 E HN -0.019 nan 8.360 nan 0.000 0.475 322 E N 0.161 120.445 120.200 0.140 0.000 2.971 322 E HA -0.267 4.083 4.350 -0.000 0.000 0.278 322 E C -0.416 176.303 176.600 0.198 0.000 1.009 322 E CA 0.765 57.264 56.400 0.165 0.000 0.862 322 E CB -1.211 28.608 29.700 0.199 0.000 1.436 322 E HN 0.350 nan 8.360 nan 0.000 0.434 323 Q N 0.768 120.607 119.800 0.066 0.000 2.256 323 Q HA 0.374 4.714 4.340 -0.000 0.000 0.254 323 Q C 0.462 176.332 176.000 -0.217 0.000 0.916 323 Q CA 0.137 55.794 55.803 -0.242 0.000 0.932 323 Q CB 0.881 29.470 28.738 -0.249 0.000 1.207 323 Q HN 0.293 nan 8.270 nan 0.000 0.426 324 T N 0.084 114.458 114.554 -0.299 0.000 2.729 324 T HA 0.063 4.413 4.350 -0.000 0.000 0.298 324 T C 1.275 175.838 174.700 -0.228 0.000 1.013 324 T CA -0.107 61.859 62.100 -0.223 0.000 0.957 324 T CB 0.329 69.058 68.868 -0.232 0.000 1.130 324 T HN 0.812 nan 8.240 nan 0.000 0.526 325 N N -0.359 118.229 118.700 -0.186 0.000 2.453 325 N HA -0.078 4.662 4.740 -0.000 0.000 0.183 325 N C 0.183 175.578 175.510 -0.192 0.000 1.041 325 N CA 0.375 53.328 53.050 -0.161 0.000 0.900 325 N CB -0.621 37.791 38.487 -0.126 0.000 0.961 325 N HN 0.402 nan 8.380 nan 0.000 0.443 326 V N 2.729 122.476 119.914 -0.279 0.000 2.348 326 V HA 0.179 4.299 4.120 -0.000 0.000 0.270 326 V C -1.341 174.512 176.094 -0.402 0.000 1.037 326 V CA -1.339 60.756 62.300 -0.342 0.000 0.872 326 V CB 1.489 33.017 31.823 -0.492 0.000 1.002 326 V HN -0.029 nan 8.190 nan 0.000 0.464 327 P HA -0.198 nan 4.420 nan 0.000 0.216 327 P C 1.239 178.437 177.300 -0.171 0.000 1.154 327 P CA 1.682 64.691 63.100 -0.153 0.000 0.865 327 P CB -0.027 31.694 31.700 0.034 0.000 0.789 328 Y N -2.374 117.872 120.300 -0.090 0.000 2.511 328 Y HA 0.329 4.879 4.550 -0.000 0.000 0.279 328 Y C 0.656 176.614 175.900 0.097 0.000 1.157 328 Y CA -0.620 57.518 58.100 0.064 0.000 1.300 328 Y CB -0.937 37.584 38.460 0.101 0.000 1.052 328 Y HN -0.170 nan 8.280 nan 0.000 0.529 329 I N 1.574 121.824 120.570 -0.534 0.000 2.354 329 I HA 0.264 4.434 4.170 -0.000 0.000 0.292 329 I C -1.175 174.727 176.117 -0.358 0.000 0.989 329 I CA -0.824 60.297 61.300 -0.298 0.000 1.188 329 I CB 0.833 38.537 38.000 -0.494 0.000 1.342 329 I HN -0.043 nan 8.210 nan 0.000 0.457 330 Y N 4.225 124.538 120.300 0.022 0.000 2.562 330 Y HA 0.786 5.336 4.550 -0.000 0.000 0.343 330 Y C 0.162 176.089 175.900 0.044 0.000 1.025 330 Y CA -0.930 57.182 58.100 0.021 0.000 1.082 330 Y CB 2.017 40.497 38.460 0.034 0.000 1.264 330 Y HN 0.544 nan 8.280 nan 0.000 0.478 331 A N 2.593 125.520 122.820 0.179 0.000 2.449 331 A HA 0.900 5.220 4.320 -0.000 0.000 0.302 331 A C -1.188 176.469 177.584 0.122 0.000 1.048 331 A CA -0.646 51.466 52.037 0.124 0.000 0.708 331 A CB 1.047 20.087 19.000 0.066 0.000 1.274 331 A HN 0.773 nan 8.150 nan 0.000 0.410 332 I N -1.345 119.291 120.570 0.110 0.000 3.095 332 I HA 0.958 5.128 4.170 -0.000 0.000 0.310 332 I C 0.349 176.524 176.117 0.098 0.000 1.196 332 I CA -0.274 61.092 61.300 0.111 0.000 0.985 332 I CB 2.102 40.168 38.000 0.110 0.000 1.250 332 I HN 1.959 nan 8.210 nan 0.000 0.446 333 G N 2.700 111.568 108.800 0.112 0.000 2.512 333 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.210 333 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.210 333 G C -0.111 174.848 174.900 0.098 0.000 1.295 333 G CA 0.328 45.489 45.100 0.102 0.000 0.934 333 G HN 0.775 nan 8.290 nan 0.000 0.554 334 D N -0.078 120.378 120.400 0.093 0.000 2.182 334 D HA -0.078 4.562 4.640 -0.000 0.000 0.201 334 D C 2.633 178.977 176.300 0.073 0.000 0.986 334 D CA 1.028 55.083 54.000 0.090 0.000 0.847 334 D CB -0.080 40.779 40.800 0.097 0.000 0.942 334 D HN 0.310 nan 8.370 nan 0.000 0.467 335 I N 0.795 121.406 120.570 0.069 0.000 2.300 335 I HA -0.197 3.973 4.170 -0.000 0.000 0.252 335 I C 0.855 176.994 176.117 0.037 0.000 1.119 335 I CA 0.427 61.761 61.300 0.056 0.000 1.384 335 I CB -0.894 37.142 38.000 0.060 0.000 1.062 335 I HN 0.004 nan 8.210 nan 0.000 0.426 336 L N 0.863 122.105 121.223 0.032 0.000 2.456 336 L HA 0.008 4.348 4.340 -0.000 0.000 0.272 336 L C 0.896 177.753 176.870 -0.021 0.000 1.189 336 L CA 0.247 55.086 54.840 -0.002 0.000 0.846 336 L CB -0.334 41.715 42.059 -0.018 0.000 1.111 336 L HN 0.200 nan 8.230 nan 0.000 0.475 337 E N 2.837 123.013 120.200 -0.040 0.000 2.290 337 E HA 0.036 4.386 4.350 -0.000 0.000 0.277 337 E C -0.460 176.097 176.600 -0.071 0.000 1.035 337 E CA -0.273 56.101 56.400 -0.043 0.000 0.873 337 E CB 0.232 29.907 29.700 -0.042 0.000 1.029 337 E HN 0.543 nan 8.360 nan 0.000 0.419 338 D N 3.004 123.371 120.400 -0.054 0.000 2.708 338 D HA -0.178 4.462 4.640 -0.000 0.000 0.236 338 D C -0.352 175.883 176.300 -0.109 0.000 1.146 338 D CA 0.902 54.863 54.000 -0.064 0.000 0.662 338 D CB -0.387 40.375 40.800 -0.063 0.000 1.059 338 D HN 0.407 nan 8.370 nan 0.000 0.428 339 K N -0.962 119.375 120.400 -0.106 0.000 1.950 339 K HA 0.675 4.995 4.320 -0.000 0.000 0.259 339 K C 0.378 176.991 176.600 0.022 0.000 1.013 339 K CA -0.502 55.694 56.287 -0.151 0.000 1.147 339 K CB 0.596 32.917 32.500 -0.299 0.000 2.115 339 K HN -0.076 nan 8.250 nan 0.000 0.877 340 V N 1.816 121.821 119.914 0.151 0.000 2.444 340 V HA 0.276 4.396 4.120 -0.000 0.000 0.294 340 V C -0.564 175.619 176.094 0.147 0.000 1.022 340 V CA -0.678 61.712 62.300 0.150 0.000 0.850 340 V CB 1.366 33.295 31.823 0.177 0.000 0.992 340 V HN 0.514 nan 8.190 nan 0.000 0.426 341 E N 5.263 125.537 120.200 0.123 0.000 2.122 341 E HA 0.508 4.858 4.350 -0.000 0.000 0.288 341 E C -0.966 175.722 176.600 0.146 0.000 1.260 341 E CA 0.056 56.538 56.400 0.137 0.000 1.344 341 E CB 0.266 30.054 29.700 0.146 0.000 1.337 341 E HN 0.523 nan 8.360 nan 0.000 0.484 342 L N -0.159 121.135 121.223 0.117 0.000 2.409 342 L HA 0.297 4.637 4.340 -0.000 0.000 0.262 342 L C 1.359 178.274 176.870 0.075 0.000 0.992 342 L CA -0.683 54.213 54.840 0.094 0.000 0.817 342 L CB 1.941 44.035 42.059 0.058 0.000 1.350 342 L HN 0.098 nan 8.230 nan 0.000 0.411 343 T N 1.058 115.652 114.554 0.067 0.000 2.635 343 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 343 T C -1.116 173.603 174.700 0.033 0.000 1.040 343 T CA 2.018 64.148 62.100 0.050 0.000 1.156 343 T CB -0.592 68.303 68.868 0.045 0.000 0.863 343 T HN 0.499 nan 8.240 nan 0.000 0.430 344 P HA 0.070 nan 4.420 nan 0.000 0.223 344 P C 1.482 178.770 177.300 -0.019 0.000 1.151 344 P CA 0.398 63.499 63.100 0.001 0.000 0.787 344 P CB -0.146 31.550 31.700 -0.006 0.000 0.788 345 V N 0.515 120.422 119.914 -0.012 0.000 2.323 345 V HA -0.207 3.913 4.120 -0.000 0.000 0.244 345 V C 2.554 178.643 176.094 -0.008 0.000 1.041 345 V CA 2.159 64.432 62.300 -0.044 0.000 1.025 345 V CB -1.670 30.160 31.823 0.010 0.000 0.656 345 V HN 0.094 nan 8.190 nan 0.000 0.451 346 A N 0.093 122.939 122.820 0.044 0.000 1.917 346 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 346 A C 2.175 179.777 177.584 0.030 0.000 1.182 346 A CA 2.193 54.264 52.037 0.056 0.000 0.633 346 A CB -0.613 18.423 19.000 0.060 0.000 0.819 346 A HN 0.521 nan 8.150 nan 0.000 0.448 347 I N -1.069 119.509 120.570 0.015 0.000 2.179 347 I HA -0.295 3.875 4.170 -0.000 0.000 0.242 347 I C 2.801 178.915 176.117 -0.005 0.000 1.088 347 I CA 1.911 63.217 61.300 0.009 0.000 1.357 347 I CB -0.385 37.622 38.000 0.011 0.000 1.051 347 I HN 0.465 nan 8.210 nan 0.000 0.409 348 Q N 1.232 121.013 119.800 -0.030 0.000 2.084 348 Q HA -0.180 4.159 4.340 -0.000 0.000 0.202 348 Q C 2.193 178.165 176.000 -0.047 0.000 0.978 348 Q CA 2.180 57.951 55.803 -0.053 0.000 0.844 348 Q CB -0.222 28.456 28.738 -0.101 0.000 0.898 348 Q HN 0.491 nan 8.270 nan 0.000 0.426 349 A N -0.160 122.635 122.820 -0.041 0.000 1.902 349 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 349 A C 2.257 179.858 177.584 0.028 0.000 1.181 349 A CA 1.640 53.682 52.037 0.009 0.000 0.623 349 A CB -1.361 17.691 19.000 0.087 0.000 0.818 349 A HN 0.576 nan 8.150 nan 0.000 0.443 350 G N -0.874 107.943 108.800 0.027 0.000 2.404 350 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.215 350 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.215 350 G C 1.775 176.690 174.900 0.026 0.000 1.174 350 G CA 0.782 45.899 45.100 0.028 0.000 0.780 350 G HN 0.510 nan 8.290 nan 0.000 0.537 351 R N -0.282 120.231 120.500 0.023 0.000 2.080 351 R HA 0.022 4.362 4.340 -0.000 0.000 0.236 351 R C 2.664 178.984 176.300 0.033 0.000 1.137 351 R CA 1.241 57.362 56.100 0.034 0.000 0.943 351 R CB -0.522 29.791 30.300 0.021 0.000 0.846 351 R HN 0.323 nan 8.270 nan 0.000 0.431 352 L N 0.492 121.719 121.223 0.007 0.000 2.141 352 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 352 L C 2.416 179.272 176.870 -0.024 0.000 1.094 352 L CA 0.439 55.276 54.840 -0.005 0.000 0.763 352 L CB -0.365 41.684 42.059 -0.017 0.000 0.908 352 L HN 0.219 nan 8.230 nan 0.000 0.437 353 L N 0.391 121.596 121.223 -0.029 0.000 2.027 353 L HA -0.120 4.220 4.340 -0.000 0.000 0.206 353 L C 2.677 179.461 176.870 -0.144 0.000 1.074 353 L CA 2.020 56.803 54.840 -0.095 0.000 0.745 353 L CB -0.764 41.238 42.059 -0.096 0.000 0.898 353 L HN 0.123 nan 8.230 nan 0.000 0.433 354 A N -1.040 121.758 122.820 -0.036 0.000 1.917 354 A HA -0.298 4.022 4.320 -0.000 0.000 0.219 354 A C 2.235 179.837 177.584 0.031 0.000 1.182 354 A CA 2.130 54.212 52.037 0.075 0.000 0.633 354 A CB -0.649 18.475 19.000 0.206 0.000 0.819 354 A HN 0.688 nan 8.150 nan 0.000 0.448 355 Q N -1.295 118.511 119.800 0.010 0.000 2.123 355 Q HA -0.086 4.254 4.340 -0.000 0.000 0.199 355 Q C 2.389 178.296 176.000 -0.156 0.000 0.966 355 Q CA 1.197 56.960 55.803 -0.067 0.000 0.845 355 Q CB -0.081 28.658 28.738 0.002 0.000 0.907 355 Q HN 0.630 nan 8.270 nan 0.000 0.439 356 R N 0.157 120.570 120.500 -0.144 0.000 2.081 356 R HA -0.082 4.258 4.340 -0.000 0.000 0.235 356 R C 2.172 178.322 176.300 -0.251 0.000 1.131 356 R CA 1.078 57.083 56.100 -0.159 0.000 0.960 356 R CB -0.097 30.132 30.300 -0.118 0.000 0.856 356 R HN 0.214 nan 8.270 nan 0.000 0.436 357 L N -1.351 119.622 121.223 -0.417 0.000 2.109 357 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 357 L C 1.123 177.574 176.870 -0.698 0.000 1.086 357 L CA 1.143 55.554 54.840 -0.715 0.000 0.760 357 L CB 0.007 41.303 42.059 -1.272 0.000 0.910 357 L HN 0.260 nan 8.230 nan 0.000 0.437 358 Y N -2.169 118.021 120.300 -0.183 0.000 2.527 358 Y HA 0.417 4.967 4.550 -0.000 0.000 0.247 358 Y C 1.195 176.804 175.900 -0.485 0.000 1.138 358 Y CA -0.135 57.824 58.100 -0.235 0.000 1.228 358 Y CB 0.339 38.723 38.460 -0.126 0.000 1.252 358 Y HN -0.023 nan 8.280 nan 0.000 0.531 359 A N -0.767 121.803 122.820 -0.418 0.000 2.630 359 A HA 0.581 4.901 4.320 -0.000 0.000 0.287 359 A C 1.662 179.111 177.584 -0.226 0.000 1.040 359 A CA 0.278 52.021 52.037 -0.490 0.000 0.971 359 A CB -0.506 18.008 19.000 -0.810 0.000 1.241 359 A HN 0.493 nan 8.150 nan 0.000 0.558 360 G N 0.579 109.282 108.800 -0.162 0.000 2.166 360 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.260 360 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.260 360 G C 0.628 175.480 174.900 -0.080 0.000 0.986 360 G CA 1.079 46.120 45.100 -0.098 0.000 0.683 360 G HN 1.879 nan 8.290 nan 0.000 0.527 361 S N -0.751 114.893 115.700 -0.092 0.000 2.614 361 S HA 0.613 5.083 4.470 -0.000 0.000 0.265 361 S C 1.267 175.837 174.600 -0.050 0.000 1.303 361 S CA 1.089 59.253 58.200 -0.060 0.000 1.000 361 S CB 1.588 64.757 63.200 -0.052 0.000 0.935 361 S HN 1.416 nan 8.310 nan 0.000 0.551 362 T N -1.051 113.484 114.554 -0.032 0.000 3.145 362 T HA 0.298 4.648 4.350 -0.000 0.000 0.281 362 T C -0.079 174.613 174.700 -0.014 0.000 1.003 362 T CA -0.346 61.741 62.100 -0.022 0.000 0.901 362 T CB -0.360 68.499 68.868 -0.015 0.000 1.112 362 T HN 0.402 nan 8.240 nan 0.000 0.535 363 V N 2.594 122.498 119.914 -0.017 0.000 2.488 363 V HA 0.361 4.481 4.120 -0.000 0.000 0.277 363 V C 0.262 176.352 176.094 -0.007 0.000 1.046 363 V CA -0.475 61.818 62.300 -0.012 0.000 0.986 363 V CB 0.785 32.599 31.823 -0.015 0.000 0.989 363 V HN 0.397 nan 8.190 nan 0.000 0.475 364 K N 2.633 123.035 120.400 0.003 0.000 2.106 364 K HA 0.490 4.810 4.320 -0.000 0.000 0.246 364 K C -0.420 176.180 176.600 -0.001 0.000 0.987 364 K CA -0.607 55.692 56.287 0.020 0.000 0.904 364 K CB 1.574 34.102 32.500 0.047 0.000 1.071 364 K HN 0.696 nan 8.250 nan 0.000 0.453 365 C N 1.787 121.090 119.300 0.005 0.000 2.499 365 C HA 0.145 4.605 4.460 -0.000 0.000 0.386 365 C C -0.236 174.667 174.990 -0.145 0.000 1.293 365 C CA -0.248 58.687 59.018 -0.138 0.000 1.884 365 C CB -0.561 27.037 27.740 -0.237 0.000 2.509 365 C HN 0.638 nan 8.230 nan 0.000 0.566 366 D N 3.804 124.086 120.400 -0.195 0.000 2.359 366 D HA 0.234 4.874 4.640 -0.000 0.000 0.230 366 D C -0.232 175.972 176.300 -0.160 0.000 1.118 366 D CA -0.133 53.820 54.000 -0.079 0.000 0.844 366 D CB 0.394 41.165 40.800 -0.048 0.000 1.059 366 D HN 0.687 nan 8.370 nan 0.000 0.493 367 Y N 1.446 121.745 120.300 -0.002 0.000 2.470 367 Y HA 0.159 4.709 4.550 -0.000 0.000 0.284 367 Y C 0.775 176.671 175.900 -0.006 0.000 1.188 367 Y CA -0.186 57.913 58.100 -0.003 0.000 1.269 367 Y CB 0.442 38.902 38.460 0.001 0.000 1.094 367 Y HN 0.200 nan 8.280 nan 0.000 0.518 368 E N 0.901 121.166 120.200 0.109 0.000 2.266 368 E HA 0.136 4.486 4.350 -0.000 0.000 0.277 368 E C 0.030 176.648 176.600 0.030 0.000 1.018 368 E CA -0.247 56.194 56.400 0.068 0.000 0.840 368 E CB 0.593 30.328 29.700 0.058 0.000 1.082 368 E HN 0.216 nan 8.360 nan 0.000 0.395 369 N N 0.506 119.221 118.700 0.026 0.000 2.727 369 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 369 N C -0.691 174.808 175.510 -0.018 0.000 1.048 369 N CA 0.450 53.502 53.050 0.004 0.000 0.714 369 N CB -1.458 37.029 38.487 0.001 0.000 0.959 369 N HN 0.123 nan 8.380 nan 0.000 0.544 370 V N 1.795 121.702 119.914 -0.012 0.000 2.470 370 V HA 0.226 4.346 4.120 -0.000 0.000 0.276 370 V C -1.116 174.955 176.094 -0.038 0.000 1.040 370 V CA -0.909 61.374 62.300 -0.028 0.000 1.008 370 V CB 1.056 32.872 31.823 -0.010 0.000 0.990 370 V HN 0.148 nan 8.190 nan 0.000 0.477 371 P HA 0.398 nan 4.420 nan 0.000 0.276 371 P C -0.488 176.774 177.300 -0.062 0.000 1.244 371 P CA -0.121 62.941 63.100 -0.064 0.000 0.801 371 P CB 1.166 32.822 31.700 -0.074 0.000 1.006 372 T N -2.127 112.376 114.554 -0.085 0.000 2.865 372 T HA 0.680 5.030 4.350 -0.000 0.000 0.294 372 T C -0.748 173.835 174.700 -0.194 0.000 1.119 372 T CA -0.661 61.376 62.100 -0.105 0.000 1.007 372 T CB 1.349 70.187 68.868 -0.051 0.000 1.225 372 T HN 0.363 nan 8.240 nan 0.000 0.515 373 T N 0.938 115.321 114.554 -0.285 0.000 2.971 373 T HA 0.538 4.887 4.350 -0.000 0.000 0.304 373 T C -0.724 173.588 174.700 -0.647 0.000 1.038 373 T CA -0.639 61.162 62.100 -0.499 0.000 1.007 373 T CB 1.604 70.091 68.868 -0.636 0.000 1.055 373 T HN 0.649 nan 8.240 nan 0.000 0.451 374 V N 3.580 123.181 119.914 -0.522 0.000 2.383 374 V HA 0.344 4.464 4.120 -0.000 0.000 0.275 374 V C -0.273 175.569 176.094 -0.421 0.000 1.036 374 V CA -0.501 61.577 62.300 -0.370 0.000 0.889 374 V CB 0.336 32.054 31.823 -0.175 0.000 0.985 374 V HN 0.899 nan 8.190 nan 0.000 0.459 375 F N 3.191 123.079 119.950 -0.103 0.000 2.871 375 F HA 0.166 4.693 4.527 -0.000 0.000 0.317 375 F C 1.573 177.207 175.800 -0.277 0.000 1.193 375 F CA -0.513 57.303 58.000 -0.307 0.000 1.311 375 F CB -0.299 38.427 39.000 -0.455 0.000 1.380 375 F HN 0.565 nan 8.300 nan 0.000 0.557 376 T N -2.184 112.386 114.554 0.027 0.000 2.748 376 T HA 0.071 4.421 4.350 -0.000 0.000 0.304 376 T C -1.466 173.367 174.700 0.223 0.000 1.041 376 T CA -1.471 60.704 62.100 0.125 0.000 1.033 376 T CB 0.693 69.627 68.868 0.110 0.000 0.995 376 T HN -0.033 nan 8.240 nan 0.000 0.536 377 P HA -0.073 nan 4.420 nan 0.000 0.217 377 P C 0.351 177.815 177.300 0.274 0.000 1.162 377 P CA 0.748 64.046 63.100 0.330 0.000 0.901 377 P CB -0.043 31.829 31.700 0.287 0.000 0.793 378 L N 0.166 121.439 121.223 0.083 0.000 2.257 378 L HA 0.210 4.550 4.340 -0.000 0.000 0.290 378 L C 0.098 177.009 176.870 0.067 0.000 1.044 378 L CA -0.528 54.283 54.840 -0.048 0.000 0.810 378 L CB 0.200 41.897 42.059 -0.603 0.000 1.193 378 L HN -0.101 nan 8.230 nan 0.000 0.425 379 E N 3.605 123.896 120.200 0.153 0.000 2.383 379 E HA 0.110 4.460 4.350 -0.000 0.000 0.264 379 E C -1.504 175.179 176.600 0.138 0.000 1.050 379 E CA -0.087 56.376 56.400 0.106 0.000 0.896 379 E CB 0.914 30.688 29.700 0.122 0.000 0.982 379 E HN 0.466 nan 8.360 nan 0.000 0.424 380 Y N 0.855 121.105 120.300 -0.084 0.000 2.326 380 Y HA 0.498 5.048 4.550 -0.000 0.000 0.329 380 Y C -0.502 175.369 175.900 -0.049 0.000 0.973 380 Y CA -1.029 57.052 58.100 -0.031 0.000 1.162 380 Y CB 1.306 39.740 38.460 -0.042 0.000 1.147 380 Y HN 0.492 nan 8.280 nan 0.000 0.456 381 G N 3.545 112.188 108.800 -0.261 0.000 2.461 381 G HA2 0.760 4.720 3.960 -0.000 0.000 0.323 381 G HA3 0.760 4.720 3.960 -0.000 0.000 0.323 381 G C -1.683 173.010 174.900 -0.346 0.000 1.229 381 G CA -0.511 44.406 45.100 -0.305 0.000 0.941 381 G HN 0.983 nan 8.290 nan 0.000 0.477 382 A N 0.279 122.898 122.820 -0.334 0.000 2.515 382 A HA 0.764 5.084 4.320 -0.000 0.000 0.298 382 A C -1.060 176.446 177.584 -0.130 0.000 1.059 382 A CA -0.650 51.226 52.037 -0.268 0.000 0.698 382 A CB 1.738 20.584 19.000 -0.257 0.000 1.289 382 A HN 1.596 nan 8.150 nan 0.000 0.404 383 C N 1.389 120.612 119.300 -0.128 0.000 2.752 383 C HA 0.807 5.267 4.460 -0.000 0.000 0.360 383 C C 0.624 175.571 174.990 -0.072 0.000 1.081 383 C CA 1.248 60.221 59.018 -0.074 0.000 1.272 383 C CB 0.429 28.132 27.740 -0.062 0.000 1.754 383 C HN 2.900 nan 8.230 nan 0.000 0.483 384 G N 4.513 113.296 108.800 -0.029 0.000 2.508 384 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.220 384 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.220 384 G C -0.939 174.005 174.900 0.074 0.000 1.287 384 G CA -0.244 44.872 45.100 0.027 0.000 0.916 384 G HN 1.060 nan 8.290 nan 0.000 0.574 385 L N 1.453 122.759 121.223 0.140 0.000 2.397 385 L HA 0.502 4.842 4.340 -0.000 0.000 0.271 385 L C 1.618 178.680 176.870 0.319 0.000 1.148 385 L CA 0.057 55.009 54.840 0.186 0.000 0.825 385 L CB 1.336 43.510 42.059 0.191 0.000 1.117 385 L HN 0.975 nan 8.230 nan 0.000 0.456 386 S N 0.680 116.539 115.700 0.265 0.000 2.600 386 S HA 0.037 4.507 4.470 -0.000 0.000 0.265 386 S C 0.899 175.580 174.600 0.135 0.000 1.325 386 S CA -0.426 57.911 58.200 0.229 0.000 1.002 386 S CB 1.214 64.502 63.200 0.148 0.000 0.921 386 S HN 0.773 nan 8.310 nan 0.000 0.554 387 E N 0.968 121.186 120.200 0.030 0.000 2.058 387 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 387 E C 1.637 178.263 176.600 0.044 0.000 0.997 387 E CA 1.838 58.257 56.400 0.031 0.000 0.801 387 E CB -0.259 29.426 29.700 -0.025 0.000 0.746 387 E HN 0.842 nan 8.360 nan 0.000 0.450 388 E N 0.616 120.833 120.200 0.029 0.000 2.049 388 E HA -0.226 4.124 4.350 -0.000 0.000 0.198 388 E C 2.045 178.666 176.600 0.036 0.000 1.007 388 E CA 1.578 57.994 56.400 0.027 0.000 0.809 388 E CB -0.103 29.610 29.700 0.022 0.000 0.749 388 E HN 0.034 nan 8.360 nan 0.000 0.450 389 K N 0.079 120.508 120.400 0.048 0.000 2.148 389 K HA 0.031 4.351 4.320 -0.000 0.000 0.204 389 K C 1.898 178.528 176.600 0.049 0.000 1.050 389 K CA 1.024 57.333 56.287 0.037 0.000 0.942 389 K CB -0.245 32.281 32.500 0.043 0.000 0.724 389 K HN 0.181 nan 8.250 nan 0.000 0.446 390 A N 0.063 122.951 122.820 0.113 0.000 1.902 390 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 390 A C 2.222 179.921 177.584 0.191 0.000 1.181 390 A CA 1.695 53.859 52.037 0.212 0.000 0.623 390 A CB -0.687 18.455 19.000 0.236 0.000 0.818 390 A HN 0.082 nan 8.150 nan 0.000 0.443 391 V N 0.018 119.998 119.914 0.109 0.000 2.343 391 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 391 V C 2.501 178.622 176.094 0.046 0.000 1.051 391 V CA 2.245 64.593 62.300 0.080 0.000 1.036 391 V CB -0.773 31.076 31.823 0.044 0.000 0.654 391 V HN 0.751 nan 8.190 nan 0.000 0.451 392 E N 0.372 120.580 120.200 0.014 0.000 2.058 392 E HA -0.321 4.029 4.350 -0.000 0.000 0.194 392 E C 2.310 178.867 176.600 -0.070 0.000 0.997 392 E CA 2.015 58.401 56.400 -0.022 0.000 0.801 392 E CB -0.071 29.612 29.700 -0.028 0.000 0.746 392 E HN 0.570 nan 8.360 nan 0.000 0.450 393 K N -0.932 119.383 120.400 -0.142 0.000 2.031 393 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 393 K C 1.572 177.925 176.600 -0.412 0.000 1.049 393 K CA 1.470 57.533 56.287 -0.373 0.000 0.939 393 K CB -0.008 32.090 32.500 -0.670 0.000 0.717 393 K HN 0.114 nan 8.250 nan 0.000 0.438 394 F N -0.436 119.521 119.950 0.013 0.000 2.720 394 F HA 0.327 4.854 4.527 -0.000 0.000 0.301 394 F C 0.466 176.270 175.800 0.008 0.000 1.103 394 F CA 0.089 58.096 58.000 0.012 0.000 1.291 394 F CB 1.492 40.502 39.000 0.016 0.000 1.086 394 F HN 0.149 nan 8.300 nan 0.000 0.592 395 G N 1.505 110.398 108.800 0.156 0.000 3.209 395 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.686 395 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.686 395 G C 0.373 175.322 174.900 0.082 0.000 1.065 395 G CA -0.308 44.847 45.100 0.091 0.000 0.812 395 G HN 0.078 nan 8.290 nan 0.000 0.573 396 E N 0.955 121.184 120.200 0.048 0.000 2.136 396 E HA -0.268 4.082 4.350 -0.000 0.000 0.208 396 E C 2.371 178.982 176.600 0.018 0.000 1.035 396 E CA 2.207 58.623 56.400 0.028 0.000 0.838 396 E CB 0.032 29.739 29.700 0.013 0.000 0.748 396 E HN 0.855 nan 8.360 nan 0.000 0.459 397 E N -0.508 119.703 120.200 0.019 0.000 2.338 397 E HA -0.133 4.217 4.350 -0.000 0.000 0.197 397 E C 1.071 177.676 176.600 0.008 0.000 1.007 397 E CA 0.676 57.081 56.400 0.008 0.000 0.849 397 E CB -0.261 29.446 29.700 0.011 0.000 0.774 397 E HN 0.186 nan 8.360 nan 0.000 0.506 398 N N 0.251 118.966 118.700 0.025 0.000 2.236 398 N HA 0.128 4.868 4.740 -0.000 0.000 0.196 398 N C -0.458 175.047 175.510 -0.009 0.000 1.114 398 N CA -0.034 53.025 53.050 0.014 0.000 0.859 398 N CB 0.614 39.129 38.487 0.047 0.000 0.982 398 N HN 0.107 nan 8.380 nan 0.000 0.493 399 I N 1.084 121.655 120.570 0.002 0.000 2.339 399 I HA 0.212 4.381 4.170 -0.000 0.000 0.290 399 I C -0.095 175.993 176.117 -0.049 0.000 0.994 399 I CA -1.146 60.149 61.300 -0.008 0.000 1.191 399 I CB 1.573 39.596 38.000 0.040 0.000 1.343 399 I HN -0.175 nan 8.210 nan 0.000 0.458 400 E N 4.787 124.945 120.200 -0.069 0.000 2.171 400 E HA 0.607 4.957 4.350 -0.000 0.000 0.271 400 E C -1.399 175.088 176.600 -0.188 0.000 0.916 400 E CA -0.410 55.884 56.400 -0.177 0.000 0.774 400 E CB 1.552 31.127 29.700 -0.208 0.000 1.128 400 E HN 0.277 nan 8.360 nan 0.000 0.403 401 V N 5.629 125.379 119.914 -0.274 0.000 2.334 401 V HA 0.304 4.424 4.120 -0.000 0.000 0.281 401 V C -0.972 174.942 176.094 -0.301 0.000 1.016 401 V CA -0.696 61.487 62.300 -0.195 0.000 0.832 401 V CB 0.231 31.943 31.823 -0.184 0.000 0.999 401 V HN 0.630 nan 8.190 nan 0.000 0.439 402 Y N 4.918 125.178 120.300 -0.068 0.000 2.313 402 Y HA 0.600 5.150 4.550 -0.000 0.000 0.332 402 Y C 0.760 176.656 175.900 -0.006 0.000 1.071 402 Y CA -0.255 57.827 58.100 -0.030 0.000 1.169 402 Y CB 0.900 39.361 38.460 0.001 0.000 1.192 402 Y HN 0.814 nan 8.280 nan 0.000 0.487 403 H N -0.964 118.105 119.070 -0.000 0.000 3.008 403 H HA 0.845 5.401 4.556 0.000 0.000 0.354 403 H C -1.458 173.760 175.328 -0.182 0.000 1.252 403 H CA -1.235 54.696 56.048 -0.195 0.000 1.117 403 H CB 2.229 31.844 29.762 -0.244 0.000 1.857 403 H HN 0.513 nan 8.280 nan 0.000 0.547 404 S N 0.839 116.334 115.700 -0.342 0.000 2.543 404 S HA 0.290 4.760 4.470 -0.000 0.000 0.274 404 S C -1.840 172.616 174.600 -0.239 0.000 1.149 404 S CA -0.704 57.344 58.200 -0.252 0.000 0.866 404 S CB 0.953 64.081 63.200 -0.120 0.000 1.111 404 S HN 0.551 nan 8.310 nan 0.000 0.457 405 Y N 2.578 122.892 120.300 0.025 0.000 2.298 405 Y HA 0.633 5.183 4.550 0.000 0.000 0.329 405 Y C 0.321 176.331 175.900 0.184 0.000 1.293 405 Y CA -0.008 58.148 58.100 0.093 0.000 1.388 405 Y CB 0.870 39.349 38.460 0.031 0.000 1.309 405 Y HN 0.664 nan 8.280 nan 0.000 0.544 406 F N -1.378 118.683 119.950 0.186 0.000 2.662 406 F HA 0.552 5.079 4.527 -0.000 0.000 0.312 406 F C -1.938 173.994 175.800 0.220 0.000 1.113 406 F CA -1.906 56.172 58.000 0.130 0.000 0.951 406 F CB 1.104 40.110 39.000 0.009 0.000 1.344 406 F HN 0.365 nan 8.300 nan 0.000 0.462 407 W N 4.425 125.800 121.300 0.125 0.000 2.391 407 W HA 0.646 5.306 4.660 -0.000 0.000 0.312 407 W C -2.874 173.637 176.519 -0.013 0.000 1.003 407 W CA -3.329 54.023 57.345 0.012 0.000 1.375 407 W CB 1.052 30.561 29.460 0.081 0.000 1.253 407 W HN 0.338 nan 8.180 nan 0.000 0.416 408 P HA -0.110 nan 4.420 nan 0.000 0.264 408 P C 1.019 178.096 177.300 -0.372 0.000 1.193 408 P CA -0.047 62.843 63.100 -0.349 0.000 0.763 408 P CB 0.737 31.913 31.700 -0.873 0.000 0.810 409 L N 4.232 125.316 121.223 -0.231 0.000 2.081 409 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 409 L C 1.656 178.444 176.870 -0.137 0.000 1.080 409 L CA 2.033 56.743 54.840 -0.216 0.000 0.754 409 L CB -1.165 40.813 42.059 -0.135 0.000 0.893 409 L HN 0.302 nan 8.230 nan 0.000 0.433 410 E N -1.547 118.624 120.200 -0.049 0.000 2.265 410 E HA -0.223 4.127 4.350 -0.000 0.000 0.196 410 E C 1.572 178.394 176.600 0.369 0.000 0.996 410 E CA 1.262 57.764 56.400 0.170 0.000 0.832 410 E CB -0.308 29.485 29.700 0.157 0.000 0.756 410 E HN 0.574 nan 8.360 nan 0.000 0.491 411 W N 0.179 121.428 121.300 -0.085 0.000 3.197 411 W HA 0.133 4.793 4.660 0.000 0.000 0.274 411 W C 1.871 178.251 176.519 -0.230 0.000 1.297 411 W CA 0.911 58.218 57.345 -0.064 0.000 1.662 411 W CB -0.914 28.568 29.460 0.037 0.000 1.106 411 W HN 0.135 nan 8.180 nan 0.000 0.663 412 T N -2.548 111.816 114.554 -0.317 0.000 2.812 412 T HA -0.118 4.232 4.350 -0.000 0.000 0.264 412 T C 1.888 176.492 174.700 -0.161 0.000 1.042 412 T CA 1.042 62.825 62.100 -0.529 0.000 1.140 412 T CB -0.447 68.033 68.868 -0.646 0.000 0.870 412 T HN 0.054 nan 8.240 nan 0.000 0.445 413 I N 1.984 122.450 120.570 -0.174 0.000 2.233 413 I HA -0.006 4.164 4.170 -0.000 0.000 0.243 413 I C -0.572 175.446 176.117 -0.164 0.000 1.093 413 I CA 0.798 61.939 61.300 -0.265 0.000 1.380 413 I CB -0.840 36.766 38.000 -0.656 0.000 1.067 413 I HN 0.202 nan 8.210 nan 0.000 0.413 414 P HA -0.149 nan 4.420 nan 0.000 0.221 414 P C 0.481 177.826 177.300 0.076 0.000 1.145 414 P CA 1.006 64.127 63.100 0.035 0.000 0.795 414 P CB 0.023 31.790 31.700 0.111 0.000 0.775 415 S N -0.823 114.958 115.700 0.136 0.000 3.886 415 S HA -0.149 4.321 4.470 -0.000 0.000 0.398 415 S C -0.002 174.757 174.600 0.266 0.000 0.931 415 S CA 0.397 58.741 58.200 0.240 0.000 1.217 415 S CB -1.617 61.667 63.200 0.140 0.000 0.874 415 S HN 0.525 nan 8.310 nan 0.000 0.521 416 R N 0.372 121.096 120.500 0.374 0.000 2.707 416 R HA 0.661 5.001 4.340 -0.000 0.000 0.272 416 R C -0.883 175.660 176.300 0.405 0.000 1.011 416 R CA -0.371 55.877 56.100 0.246 0.000 0.893 416 R CB 0.643 30.976 30.300 0.055 0.000 1.233 416 R HN 0.075 nan 8.270 nan 0.000 0.464 417 D N 0.539 121.067 120.400 0.214 0.000 2.705 417 D HA -0.182 4.458 4.640 -0.000 0.000 0.240 417 D C -0.804 175.668 176.300 0.287 0.000 1.137 417 D CA 0.995 55.139 54.000 0.239 0.000 0.677 417 D CB -0.686 40.188 40.800 0.123 0.000 1.049 417 D HN 0.639 nan 8.370 nan 0.000 0.427 418 N N 1.268 119.840 118.700 -0.214 0.000 2.467 418 N HA 0.050 4.790 4.740 -0.000 0.000 0.262 418 N C 0.528 175.790 175.510 -0.412 0.000 1.234 418 N CA 0.066 52.599 53.050 -0.863 0.000 0.952 418 N CB 0.376 38.000 38.487 -1.438 0.000 1.158 418 N HN 0.067 nan 8.380 nan 0.000 0.463 419 N N 0.239 118.701 118.700 -0.396 0.000 2.716 419 N HA -0.219 4.521 4.740 -0.000 0.000 0.250 419 N C -0.198 175.064 175.510 -0.413 0.000 1.033 419 N CA 0.762 53.532 53.050 -0.466 0.000 0.727 419 N CB -0.502 37.618 38.487 -0.611 0.000 0.950 419 N HN 0.595 nan 8.380 nan 0.000 0.541 420 K N -0.669 119.695 120.400 -0.060 0.000 2.412 420 K HA 0.278 4.598 4.320 -0.000 0.000 0.201 420 K C 0.239 176.925 176.600 0.144 0.000 1.275 420 K CA 0.481 56.829 56.287 0.101 0.000 0.910 420 K CB 0.365 32.995 32.500 0.216 0.000 1.346 420 K HN 0.317 nan 8.250 nan 0.000 0.490 421 C N 1.784 121.047 119.300 -0.061 0.000 2.662 421 C HA 0.296 4.756 4.460 -0.000 0.000 0.420 421 C C -0.152 174.676 174.990 -0.270 0.000 1.314 421 C CA -0.262 58.486 59.018 -0.450 0.000 1.963 421 C CB -1.007 25.852 27.740 -1.468 0.000 2.686 421 C HN 0.399 nan 8.230 nan 0.000 0.609 422 Y N 0.876 121.064 120.300 -0.186 0.000 2.441 422 Y HA 0.581 5.131 4.550 -0.000 0.000 0.334 422 Y C -0.478 175.495 175.900 0.121 0.000 1.061 422 Y CA -0.568 57.495 58.100 -0.061 0.000 1.032 422 Y CB 0.964 39.331 38.460 -0.155 0.000 1.266 422 Y HN 0.864 nan 8.280 nan 0.000 0.441 423 A N 6.427 128.943 122.820 -0.507 0.000 2.343 423 A HA 0.804 5.124 4.320 -0.000 0.000 0.316 423 A C -1.480 175.685 177.584 -0.699 0.000 1.104 423 A CA -0.792 50.909 52.037 -0.561 0.000 0.768 423 A CB 0.938 19.363 19.000 -0.957 0.000 1.213 423 A HN 0.713 nan 8.150 nan 0.000 0.456 424 K N 1.958 122.143 120.400 -0.359 0.000 2.502 424 K HA 0.788 5.108 4.320 -0.000 0.000 0.257 424 K C -1.152 175.480 176.600 0.054 0.000 0.938 424 K CA -0.653 55.541 56.287 -0.155 0.000 0.819 424 K CB 1.834 34.253 32.500 -0.134 0.000 1.333 424 K HN 0.828 nan 8.250 nan 0.000 0.434 425 I N -0.547 120.095 120.570 0.121 0.000 2.646 425 I HA 0.572 4.742 4.170 -0.000 0.000 0.299 425 I C -1.174 175.048 176.117 0.176 0.000 1.036 425 I CA -1.463 59.937 61.300 0.167 0.000 1.074 425 I CB 1.612 39.721 38.000 0.182 0.000 1.258 425 I HN 0.548 nan 8.210 nan 0.000 0.430 426 I N 4.802 125.478 120.570 0.177 0.000 2.362 426 I HA 0.398 4.568 4.170 -0.000 0.000 0.289 426 I C -0.596 175.589 176.117 0.112 0.000 0.994 426 I CA -0.055 61.327 61.300 0.137 0.000 1.158 426 I CB 1.478 39.568 38.000 0.150 0.000 1.315 426 I HN 0.637 nan 8.210 nan 0.000 0.451 427 C N 4.436 123.793 119.300 0.095 0.000 2.411 427 C HA 0.462 4.922 4.460 -0.000 0.000 0.330 427 C C 0.247 175.213 174.990 -0.039 0.000 1.224 427 C CA -0.746 58.306 59.018 0.057 0.000 1.770 427 C CB 1.244 29.078 27.740 0.157 0.000 2.297 427 C HN 0.717 nan 8.230 nan 0.000 0.507 428 N N 1.274 119.889 118.700 -0.143 0.000 2.500 428 N HA 0.169 4.909 4.740 -0.000 0.000 0.236 428 N C 0.907 176.315 175.510 -0.170 0.000 1.022 428 N CA -0.005 52.870 53.050 -0.290 0.000 0.935 428 N CB 1.022 39.123 38.487 -0.643 0.000 1.147 428 N HN 0.677 nan 8.380 nan 0.000 0.512 429 T N 2.666 117.159 114.554 -0.102 0.000 2.833 429 T HA -0.061 4.289 4.350 -0.000 0.000 0.269 429 T C 1.428 176.096 174.700 -0.053 0.000 1.054 429 T CA 1.062 63.133 62.100 -0.049 0.000 1.135 429 T CB 0.114 68.968 68.868 -0.024 0.000 0.869 429 T HN 0.498 nan 8.240 nan 0.000 0.466 430 K N 0.668 121.024 120.400 -0.073 0.000 2.442 430 K HA -0.065 4.255 4.320 -0.000 0.000 0.198 430 K C 0.477 177.044 176.600 -0.055 0.000 1.042 430 K CA 0.798 57.058 56.287 -0.046 0.000 0.958 430 K CB 0.115 32.603 32.500 -0.019 0.000 0.766 430 K HN 0.157 nan 8.250 nan 0.000 0.474 431 D N -0.049 120.295 120.400 -0.095 0.000 2.861 431 D HA 0.111 4.751 4.640 -0.000 0.000 0.357 431 D C -1.120 175.144 176.300 -0.061 0.000 1.250 431 D CA -0.324 53.629 54.000 -0.078 0.000 0.802 431 D CB -0.460 40.267 40.800 -0.121 0.000 1.141 431 D HN -0.022 nan 8.370 nan 0.000 0.489 432 N N 1.817 120.495 118.700 -0.037 0.000 2.735 432 N HA -0.220 4.520 4.740 -0.000 0.000 0.248 432 N C -0.695 174.803 175.510 -0.020 0.000 1.083 432 N CA 1.059 54.095 53.050 -0.022 0.000 0.703 432 N CB -0.854 37.622 38.487 -0.018 0.000 1.005 432 N HN 0.477 nan 8.380 nan 0.000 0.550 433 E N -2.397 117.790 120.200 -0.022 0.000 2.360 433 E HA -0.327 4.023 4.350 -0.000 0.000 0.238 433 E C 0.088 176.679 176.600 -0.014 0.000 1.186 433 E CA 0.591 56.990 56.400 -0.000 0.000 0.719 433 E CB -0.622 29.101 29.700 0.038 0.000 1.236 433 E HN 0.441 nan 8.360 nan 0.000 0.386 434 R N 0.302 120.772 120.500 -0.049 0.000 2.585 434 R HA 0.049 4.389 4.340 -0.000 0.000 0.275 434 R C -0.320 175.965 176.300 -0.025 0.000 1.018 434 R CA 0.269 56.342 56.100 -0.045 0.000 1.072 434 R CB 0.632 30.885 30.300 -0.079 0.000 0.953 434 R HN 0.022 nan 8.270 nan 0.000 0.419 435 V N 7.565 127.483 119.914 0.007 0.000 2.352 435 V HA 0.015 4.135 4.120 -0.000 0.000 0.253 435 V C 1.124 177.245 176.094 0.045 0.000 1.083 435 V CA 0.198 62.523 62.300 0.041 0.000 0.993 435 V CB 0.534 32.390 31.823 0.055 0.000 1.111 435 V HN 0.800 nan 8.190 nan 0.000 0.490 436 V N 1.839 121.784 119.914 0.053 0.000 3.608 436 V HA 0.536 4.656 4.120 -0.000 0.000 0.269 436 V C 0.859 177.029 176.094 0.126 0.000 1.245 436 V CA 0.777 63.131 62.300 0.089 0.000 1.138 436 V CB -0.070 31.820 31.823 0.112 0.000 0.841 436 V HN 0.712 nan 8.190 nan 0.000 0.451 437 G N -0.246 108.638 108.800 0.139 0.000 2.731 437 G HA2 0.595 4.555 3.960 -0.000 0.000 0.298 437 G HA3 0.595 4.555 3.960 -0.000 0.000 0.298 437 G C -1.936 173.056 174.900 0.153 0.000 1.424 437 G CA -0.560 44.638 45.100 0.162 0.000 1.029 437 G HN 0.205 nan 8.290 nan 0.000 0.518 438 F N 3.058 122.865 119.950 -0.237 0.000 2.539 438 F HA 0.678 5.205 4.527 -0.000 0.000 0.318 438 F C -0.827 174.693 175.800 -0.466 0.000 1.135 438 F CA -0.669 57.171 58.000 -0.267 0.000 0.915 438 F CB 1.716 40.517 39.000 -0.332 0.000 1.176 438 F HN 0.484 nan 8.300 nan 0.000 0.440 439 H N 5.322 124.054 119.070 -0.562 0.000 2.877 439 H HA 0.591 5.147 4.556 -0.000 0.000 0.347 439 H C -1.530 173.677 175.328 -0.202 0.000 1.042 439 H CA -0.837 55.092 56.048 -0.199 0.000 1.276 439 H CB 2.183 32.035 29.762 0.150 0.000 1.681 439 H HN 0.560 nan 8.280 nan 0.000 0.521 440 V N 4.753 124.732 119.914 0.109 0.000 2.686 440 V HA 0.344 4.464 4.120 -0.000 0.000 0.306 440 V C -1.434 174.892 176.094 0.388 0.000 1.065 440 V CA -0.746 61.706 62.300 0.254 0.000 0.894 440 V CB 2.315 34.316 31.823 0.295 0.000 1.004 440 V HN 0.506 nan 8.190 nan 0.000 0.424 441 L N 7.151 128.599 121.223 0.375 0.000 2.316 441 L HA 1.039 5.379 4.340 -0.000 0.000 0.280 441 L C -0.003 177.008 176.870 0.234 0.000 1.006 441 L CA 1.019 56.035 54.840 0.292 0.000 0.836 441 L CB 0.908 43.093 42.059 0.209 0.000 1.221 441 L HN 0.983 nan 8.230 nan 0.000 0.418 442 G N 4.343 113.286 108.800 0.238 0.000 2.320 442 G HA2 0.352 4.312 3.960 -0.000 0.000 0.296 442 G HA3 0.352 4.312 3.960 -0.000 0.000 0.296 442 G C -3.414 171.631 174.900 0.241 0.000 1.306 442 G CA -0.672 44.558 45.100 0.216 0.000 0.836 442 G HN 0.388 nan 8.290 nan 0.000 0.517 443 P HA 0.187 nan 4.420 nan 0.000 0.272 443 P C -0.231 177.201 177.300 0.220 0.000 1.223 443 P CA 0.029 63.278 63.100 0.248 0.000 0.784 443 P CB 0.470 32.296 31.700 0.211 0.000 0.923 444 N N -0.082 118.758 118.700 0.234 0.000 2.727 444 N HA -0.231 4.509 4.740 -0.000 0.000 0.249 444 N C 1.180 176.803 175.510 0.188 0.000 1.048 444 N CA 1.000 54.174 53.050 0.207 0.000 0.714 444 N CB -1.648 36.932 38.487 0.156 0.000 0.959 444 N HN 0.596 nan 8.380 nan 0.000 0.544 445 A N 0.075 123.004 122.820 0.181 0.000 1.948 445 A HA -0.055 4.265 4.320 -0.000 0.000 0.220 445 A C 2.302 179.948 177.584 0.103 0.000 1.177 445 A CA 2.244 54.370 52.037 0.149 0.000 0.636 445 A CB -0.767 18.286 19.000 0.089 0.000 0.815 445 A HN 0.538 nan 8.150 nan 0.000 0.449 446 G N -0.575 108.264 108.800 0.065 0.000 2.402 446 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.216 446 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.216 446 G C 1.356 176.304 174.900 0.080 0.000 1.162 446 G CA 0.905 46.037 45.100 0.054 0.000 0.777 446 G HN 0.503 nan 8.290 nan 0.000 0.539 447 E N 0.598 120.863 120.200 0.108 0.000 2.077 447 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 447 E C 2.829 179.473 176.600 0.073 0.000 0.989 447 E CA 0.787 57.233 56.400 0.078 0.000 0.800 447 E CB -0.646 29.104 29.700 0.083 0.000 0.746 447 E HN 0.332 nan 8.360 nan 0.000 0.452 448 V N 1.304 121.295 119.914 0.129 0.000 2.358 448 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 448 V C 2.295 178.497 176.094 0.180 0.000 1.047 448 V CA 2.022 64.439 62.300 0.194 0.000 1.035 448 V CB -0.709 31.292 31.823 0.296 0.000 0.658 448 V HN 0.262 nan 8.190 nan 0.000 0.452 449 T N -0.964 113.670 114.554 0.133 0.000 2.985 449 T HA -0.175 4.175 4.350 -0.000 0.000 0.266 449 T C 1.868 176.496 174.700 -0.119 0.000 1.076 449 T CA 1.326 63.441 62.100 0.026 0.000 1.135 449 T CB -0.110 68.814 68.868 0.093 0.000 0.890 449 T HN 0.424 nan 8.240 nan 0.000 0.480 450 Q N 1.431 121.186 119.800 -0.075 0.000 2.030 450 Q HA -0.058 4.282 4.340 -0.000 0.000 0.204 450 Q C 2.425 178.322 176.000 -0.172 0.000 0.986 450 Q CA 2.264 58.005 55.803 -0.103 0.000 0.843 450 Q CB -1.005 27.692 28.738 -0.067 0.000 0.904 450 Q HN 0.481 nan 8.270 nan 0.000 0.420 451 G N -1.242 107.423 108.800 -0.225 0.000 2.408 451 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 451 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 451 G C 1.019 175.649 174.900 -0.450 0.000 1.150 451 G CA 0.630 45.531 45.100 -0.332 0.000 0.776 451 G HN 0.391 nan 8.290 nan 0.000 0.542 452 F N 1.819 121.489 119.950 -0.466 0.000 2.269 452 F HA 0.084 4.611 4.527 -0.000 0.000 0.301 452 F C 2.924 178.410 175.800 -0.525 0.000 1.082 452 F CA 0.614 58.221 58.000 -0.656 0.000 1.360 452 F CB -0.219 37.953 39.000 -1.379 0.000 1.041 452 F HN 0.237 nan 8.300 nan 0.000 0.512 453 A N 0.118 122.772 122.820 -0.276 0.000 1.902 453 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 453 A C 2.455 179.951 177.584 -0.148 0.000 1.181 453 A CA 1.785 53.710 52.037 -0.187 0.000 0.623 453 A CB -1.236 17.675 19.000 -0.148 0.000 0.818 453 A HN 0.298 nan 8.150 nan 0.000 0.443 454 A N -0.270 122.451 122.820 -0.164 0.000 1.930 454 A HA 0.206 4.526 4.320 -0.000 0.000 0.217 454 A C 2.469 179.974 177.584 -0.131 0.000 1.175 454 A CA 1.909 53.863 52.037 -0.139 0.000 0.627 454 A CB -0.918 17.992 19.000 -0.150 0.000 0.815 454 A HN 1.048 nan 8.150 nan 0.000 0.443 455 A N -0.213 122.509 122.820 -0.163 0.000 1.972 455 A HA -0.010 4.310 4.320 -0.000 0.000 0.219 455 A C 2.128 179.669 177.584 -0.072 0.000 1.169 455 A CA 1.361 53.326 52.037 -0.121 0.000 0.635 455 A CB -0.520 18.405 19.000 -0.125 0.000 0.810 455 A HN 0.472 nan 8.150 nan 0.000 0.446 456 L N -0.696 120.482 121.223 -0.075 0.000 2.046 456 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 456 L C 2.432 179.280 176.870 -0.037 0.000 1.077 456 L CA 1.311 56.125 54.840 -0.044 0.000 0.747 456 L CB -0.529 41.504 42.059 -0.044 0.000 0.896 456 L HN 0.310 nan 8.230 nan 0.000 0.432 457 K N -0.183 120.187 120.400 -0.050 0.000 2.211 457 K HA -0.155 4.165 4.320 -0.000 0.000 0.204 457 K C 1.810 178.389 176.600 -0.035 0.000 1.047 457 K CA 1.217 57.480 56.287 -0.040 0.000 0.935 457 K CB -0.363 32.106 32.500 -0.050 0.000 0.728 457 K HN 0.434 nan 8.250 nan 0.000 0.452 458 C N 0.286 119.560 119.300 -0.043 0.000 2.697 458 C HA 0.206 4.666 4.460 -0.000 0.000 0.267 458 C C 1.200 176.174 174.990 -0.027 0.000 1.278 458 C CA 0.034 59.029 59.018 -0.037 0.000 1.708 458 C CB -0.992 26.719 27.740 -0.049 0.000 1.860 458 C HN 0.660 nan 8.230 nan 0.000 0.589 459 G N 1.360 110.148 108.800 -0.021 0.000 2.248 459 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.263 459 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.263 459 G C -0.084 174.809 174.900 -0.012 0.000 1.082 459 G CA 0.127 45.220 45.100 -0.012 0.000 0.863 459 G HN 0.548 nan 8.290 nan 0.000 0.495 460 L N 0.840 122.055 121.223 -0.013 0.000 2.559 460 L HA 0.505 4.845 4.340 -0.000 0.000 0.282 460 L C 0.719 177.589 176.870 0.001 0.000 1.232 460 L CA 1.245 56.083 54.840 -0.004 0.000 0.885 460 L CB 0.577 42.642 42.059 0.010 0.000 1.131 460 L HN 0.235 nan 8.230 nan 0.000 0.498 461 T N 3.756 118.309 114.554 -0.002 0.000 2.932 461 T HA 0.248 4.598 4.350 -0.000 0.000 0.289 461 T C 0.687 175.381 174.700 -0.010 0.000 1.039 461 T CA -0.517 61.579 62.100 -0.007 0.000 1.024 461 T CB 1.910 70.771 68.868 -0.012 0.000 1.090 461 T HN 0.666 nan 8.240 nan 0.000 0.496 462 K N 1.920 122.307 120.400 -0.023 0.000 2.063 462 K HA -0.004 4.316 4.320 -0.000 0.000 0.208 462 K C 1.946 178.508 176.600 -0.064 0.000 1.048 462 K CA 1.742 57.989 56.287 -0.067 0.000 0.928 462 K CB -0.079 32.360 32.500 -0.102 0.000 0.713 462 K HN 0.410 nan 8.250 nan 0.000 0.442 463 K N 0.108 120.484 120.400 -0.040 0.000 2.044 463 K HA -0.210 4.110 4.320 -0.000 0.000 0.210 463 K C 2.330 178.917 176.600 -0.021 0.000 1.049 463 K CA 2.107 58.376 56.287 -0.029 0.000 0.927 463 K CB -0.096 32.394 32.500 -0.018 0.000 0.713 463 K HN 0.334 nan 8.250 nan 0.000 0.443 464 Q N 0.270 120.061 119.800 -0.014 0.000 2.079 464 Q HA -0.160 4.180 4.340 -0.000 0.000 0.200 464 Q C 2.138 178.141 176.000 0.005 0.000 0.974 464 Q CA 1.038 56.837 55.803 -0.007 0.000 0.840 464 Q CB -0.134 28.599 28.738 -0.008 0.000 0.898 464 Q HN 0.178 nan 8.270 nan 0.000 0.430 465 L N 1.487 122.719 121.223 0.016 0.000 2.017 465 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 465 L C 1.365 178.254 176.870 0.032 0.000 1.073 465 L CA 1.996 56.868 54.840 0.054 0.000 0.745 465 L CB -0.569 41.530 42.059 0.067 0.000 0.894 465 L HN 0.087 nan 8.230 nan 0.000 0.432 466 D N -0.673 119.719 120.400 -0.014 0.000 2.182 466 D HA -0.161 4.479 4.640 -0.000 0.000 0.201 466 D C 2.361 178.657 176.300 -0.007 0.000 0.986 466 D CA 1.505 55.491 54.000 -0.024 0.000 0.847 466 D CB -0.157 40.611 40.800 -0.053 0.000 0.942 466 D HN 0.615 nan 8.370 nan 0.000 0.467 467 S N -0.955 114.743 115.700 -0.005 0.000 2.496 467 S HA -0.011 4.459 4.470 -0.000 0.000 0.224 467 S C 1.045 175.646 174.600 0.002 0.000 0.996 467 S CA 0.049 58.247 58.200 -0.004 0.000 0.927 467 S CB -0.291 62.904 63.200 -0.008 0.000 0.774 467 S HN -0.029 nan 8.310 nan 0.000 0.524 468 T N 4.534 119.095 114.554 0.012 0.000 2.870 468 T HA 0.334 4.684 4.350 -0.000 0.000 0.300 468 T C 0.074 174.789 174.700 0.025 0.000 0.989 468 T CA -0.261 61.849 62.100 0.016 0.000 1.139 468 T CB 0.300 69.189 68.868 0.034 0.000 0.920 468 T HN 0.142 nan 8.240 nan 0.000 0.537 469 I N 2.801 123.379 120.570 0.015 0.000 2.472 469 I HA 0.311 4.481 4.170 -0.000 0.000 0.290 469 I C 1.335 177.472 176.117 0.033 0.000 1.016 469 I CA -0.530 60.780 61.300 0.018 0.000 1.348 469 I CB 0.584 38.588 38.000 0.007 0.000 1.417 469 I HN 0.702 nan 8.210 nan 0.000 0.521 470 G N 6.048 114.874 108.800 0.043 0.000 2.569 470 G HA2 0.466 4.426 3.960 -0.000 0.000 0.249 470 G HA3 0.466 4.426 3.960 -0.000 0.000 0.249 470 G C -0.181 174.757 174.900 0.063 0.000 1.216 470 G CA -0.520 44.619 45.100 0.065 0.000 0.845 470 G HN 0.523 nan 8.290 nan 0.000 0.568 471 I N 0.330 120.944 120.570 0.073 0.000 2.353 471 I HA 0.255 4.425 4.170 -0.000 0.000 0.293 471 I C -0.190 176.000 176.117 0.121 0.000 0.992 471 I CA -0.620 60.723 61.300 0.073 0.000 1.268 471 I CB 1.581 39.605 38.000 0.040 0.000 1.387 471 I HN 0.515 nan 8.210 nan 0.000 0.478 472 H N 6.970 126.042 119.070 0.004 0.000 2.538 472 H HA 0.583 5.139 4.556 -0.000 0.000 0.353 472 H C -2.513 172.816 175.328 0.003 0.000 1.109 472 H CA -1.782 54.268 56.048 0.003 0.000 1.192 472 H CB 1.749 31.514 29.762 0.005 0.000 1.555 472 H HN 0.309 nan 8.280 nan 0.000 0.518 473 P HA 0.342 nan 4.420 nan 0.000 0.284 473 P C -1.442 175.721 177.300 -0.228 0.000 1.459 473 P CA -0.539 62.165 63.100 -0.661 0.000 0.982 473 P CB 1.183 32.431 31.700 -0.754 0.000 1.184 474 V N 2.550 122.403 119.914 -0.102 0.000 2.789 474 V HA 0.089 4.209 4.120 -0.000 0.000 0.311 474 V C 1.255 177.322 176.094 -0.044 0.000 1.073 474 V CA -0.473 61.798 62.300 -0.048 0.000 0.921 474 V CB 2.037 33.854 31.823 -0.009 0.000 1.009 474 V HN 0.636 nan 8.190 nan 0.000 0.426 475 C N 2.838 122.106 119.300 -0.053 0.000 2.398 475 C HA -0.170 4.290 4.460 -0.000 0.000 0.276 475 C C 2.775 177.609 174.990 -0.260 0.000 1.222 475 C CA 1.689 60.616 59.018 -0.152 0.000 1.746 475 C CB -0.961 26.754 27.740 -0.041 0.000 2.039 475 C HN 1.041 nan 8.230 nan 0.000 0.470 476 A N 0.963 123.761 122.820 -0.036 0.000 2.076 476 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 476 A C 2.045 179.729 177.584 0.165 0.000 1.160 476 A CA 1.851 53.983 52.037 0.159 0.000 0.653 476 A CB -0.755 18.422 19.000 0.295 0.000 0.801 476 A HN 0.872 nan 8.150 nan 0.000 0.455 477 E N -0.110 120.118 120.200 0.047 0.000 2.333 477 E HA -0.110 4.240 4.350 -0.000 0.000 0.198 477 E C 1.523 178.111 176.600 -0.020 0.000 1.007 477 E CA 1.062 57.503 56.400 0.067 0.000 0.845 477 E CB -0.522 29.222 29.700 0.074 0.000 0.766 477 E HN 0.296 nan 8.360 nan 0.000 0.507 478 V N 0.366 120.152 119.914 -0.213 0.000 2.469 478 V HA -0.238 3.882 4.120 -0.000 0.000 0.251 478 V C 1.489 177.376 176.094 -0.345 0.000 1.064 478 V CA 1.615 63.703 62.300 -0.352 0.000 1.066 478 V CB -0.631 30.788 31.823 -0.673 0.000 0.667 478 V HN 0.329 nan 8.190 nan 0.000 0.461 479 F N 0.373 120.242 119.950 -0.135 0.000 2.604 479 F HA -0.032 4.495 4.527 0.000 0.000 0.298 479 F C 2.403 178.177 175.800 -0.043 0.000 1.131 479 F CA 1.570 59.491 58.000 -0.131 0.000 1.457 479 F CB -0.869 37.973 39.000 -0.262 0.000 1.095 479 F HN 0.111 nan 8.300 nan 0.000 0.574 480 T N -1.494 113.142 114.554 0.138 0.000 3.023 480 T HA -0.075 4.275 4.350 -0.000 0.000 0.266 480 T C 1.595 176.310 174.700 0.025 0.000 1.093 480 T CA 1.745 63.904 62.100 0.098 0.000 1.129 480 T CB -0.254 68.667 68.868 0.088 0.000 0.899 480 T HN 0.329 nan 8.240 nan 0.000 0.491 481 T N -0.407 114.141 114.554 -0.009 0.000 3.393 481 T HA 0.419 4.769 4.350 -0.000 0.000 0.298 481 T C 0.086 174.764 174.700 -0.037 0.000 1.004 481 T CA -0.452 61.633 62.100 -0.025 0.000 0.956 481 T CB -0.701 68.157 68.868 -0.016 0.000 1.182 481 T HN 0.120 nan 8.240 nan 0.000 0.497 482 L N 2.911 124.099 121.223 -0.058 0.000 2.500 482 L HA 0.364 4.704 4.340 -0.000 0.000 0.272 482 L C 1.383 178.251 176.870 -0.004 0.000 1.149 482 L CA -0.114 54.707 54.840 -0.032 0.000 0.897 482 L CB 0.661 42.700 42.059 -0.032 0.000 1.178 482 L HN 0.537 nan 8.230 nan 0.000 0.473 483 S N 1.291 117.056 115.700 0.108 0.000 2.649 483 S HA 0.167 4.637 4.470 -0.000 0.000 0.246 483 S C 0.183 174.947 174.600 0.273 0.000 1.057 483 S CA -0.393 57.910 58.200 0.172 0.000 1.051 483 S CB 0.572 63.823 63.200 0.085 0.000 1.018 483 S HN 0.229 nan 8.310 nan 0.000 0.569 484 V N 3.880 123.941 119.914 0.246 0.000 2.370 484 V HA 0.568 4.688 4.120 -0.000 0.000 0.279 484 V C 0.540 176.734 176.094 0.168 0.000 1.029 484 V CA -0.172 62.240 62.300 0.188 0.000 0.870 484 V CB 1.002 32.921 31.823 0.161 0.000 0.984 484 V HN 0.622 nan 8.190 nan 0.000 0.451 485 T N 1.718 116.261 114.554 -0.017 0.000 2.928 485 T HA 0.389 4.739 4.350 -0.000 0.000 0.284 485 T C 0.920 175.517 174.700 -0.171 0.000 1.008 485 T CA -0.723 61.228 62.100 -0.248 0.000 1.057 485 T CB 1.509 70.147 68.868 -0.383 0.000 1.018 485 T HN 0.554 nan 8.240 nan 0.000 0.493 486 K N 0.607 120.796 120.400 -0.351 0.000 2.032 486 K HA -0.155 4.165 4.320 -0.000 0.000 0.209 486 K C 2.439 178.967 176.600 -0.120 0.000 1.048 486 K CA 1.457 57.584 56.287 -0.267 0.000 0.927 486 K CB -0.205 32.100 32.500 -0.325 0.000 0.712 486 K HN 0.638 nan 8.250 nan 0.000 0.441 487 R N 1.389 121.805 120.500 -0.141 0.000 2.117 487 R HA -0.156 4.184 4.340 -0.000 0.000 0.243 487 R C 2.278 178.545 176.300 -0.056 0.000 1.143 487 R CA 2.131 58.177 56.100 -0.090 0.000 0.968 487 R CB -0.335 29.902 30.300 -0.105 0.000 0.863 487 R HN 0.252 nan 8.270 nan 0.000 0.444 488 S N -1.206 114.462 115.700 -0.054 0.000 2.419 488 S HA -0.014 4.456 4.470 -0.000 0.000 0.233 488 S C 1.711 176.314 174.600 0.006 0.000 1.016 488 S CA 1.052 59.242 58.200 -0.018 0.000 0.974 488 S CB -0.475 62.723 63.200 -0.004 0.000 0.786 488 S HN 0.698 nan 8.310 nan 0.000 0.492 489 G N 1.024 109.834 108.800 0.016 0.000 2.184 489 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.264 489 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.264 489 G C 0.335 175.269 174.900 0.056 0.000 0.975 489 G CA 0.308 45.429 45.100 0.035 0.000 0.642 489 G HN 1.434 nan 8.290 nan 0.000 0.536 490 A N -0.002 122.855 122.820 0.062 0.000 2.466 490 A HA 0.655 4.975 4.320 -0.000 0.000 0.238 490 A C 0.970 178.603 177.584 0.081 0.000 1.074 490 A CA 1.199 53.273 52.037 0.063 0.000 0.774 490 A CB 0.516 19.553 19.000 0.060 0.000 1.015 490 A HN 1.558 nan 8.150 nan 0.000 0.498 491 S N -0.410 115.327 115.700 0.061 0.000 2.592 491 S HA 0.434 4.904 4.470 -0.000 0.000 0.271 491 S C 0.598 175.232 174.600 0.057 0.000 1.326 491 S CA 0.102 58.337 58.200 0.060 0.000 1.024 491 S CB 0.019 63.245 63.200 0.042 0.000 0.921 491 S HN 1.007 nan 8.310 nan 0.000 0.527 492 I N 2.032 122.640 120.570 0.063 0.000 3.966 492 I HA 0.399 4.569 4.170 -0.000 0.000 0.324 492 I C -0.305 175.918 176.117 0.176 0.000 1.517 492 I CA -0.495 60.846 61.300 0.067 0.000 1.117 492 I CB -0.029 37.911 38.000 -0.099 0.000 1.190 492 I HN 0.339 nan 8.210 nan 0.000 0.466 493 L N 0.000 121.287 121.223 0.106 0.000 2.949 493 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 493 L CA 0.000 54.853 54.840 0.022 0.000 0.813 493 L CB 0.000 42.032 42.059 -0.045 0.000 0.961 493 L HN 0.000 nan 8.230 nan 0.000 0.502